USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 LYS NZ :NH3+ -150:sc= 0.216 (180deg=0.0181) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 18 ASN : amide:sc= -0.181 K(o=-0.18,f=-4.1!) USER MOD Set 2.2: A 69 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 23 SER OG : rot -48:sc= 1.03 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 174:sc= 0 (180deg=-0.0842) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.42) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -125:sc= 0.00575 (180deg=-0.503) USER MOD Single : A 46 GLN : amide:sc=-0.00887 X(o=-0.0089,f=-0.059) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.00312 (180deg=-0.0135) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 143:sc= 1.98 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0152) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.281) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 78 GLN : amide:sc= -0.162 K(o=-0.16,f=-1) USER MOD Single : A 81 TYR OH : rot -70:sc= 0.904 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -90:sc= 0.136 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0607 K(o=-0.061,f=-1.6) USER MOD Single : A 96 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0205) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.342 3.274 -11.349 1.00 0.00 N ATOM 35 CA ASN A 5 12.765 4.052 -10.149 1.00 0.00 C ATOM 36 C ASN A 5 11.880 3.566 -8.958 1.00 0.00 C ATOM 37 O ASN A 5 10.955 4.238 -8.490 1.00 0.00 O ATOM 38 CB ASN A 5 12.634 5.575 -10.403 1.00 0.00 C ATOM 39 CG ASN A 5 13.567 6.171 -11.480 1.00 0.00 C ATOM 40 OD1 ASN A 5 13.174 6.361 -12.631 1.00 0.00 O ATOM 41 ND2 ASN A 5 14.810 6.471 -11.130 1.00 0.00 N ATOM 0 HA ASN A 5 13.817 3.883 -9.918 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.603 5.787 -10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.819 6.096 -9.464 1.00 0.00 H new ATOM 0 HD21 ASN A 5 15.453 6.864 -11.818 1.00 0.00 H new ATOM 0 HD22 ASN A 5 15.124 6.309 -10.173 1.00 0.00 H new ATOM 42 N ALA A 6 12.180 2.326 -8.548 1.00 0.00 N ATOM 43 CA ALA A 6 11.252 1.486 -7.752 1.00 0.00 C ATOM 44 C ALA A 6 11.930 0.797 -6.536 1.00 0.00 C ATOM 45 O ALA A 6 13.158 0.745 -6.402 1.00 0.00 O ATOM 46 CB ALA A 6 10.673 0.433 -8.727 1.00 0.00 C ATOM 0 H ALA A 6 13.069 1.871 -8.754 1.00 0.00 H new ATOM 0 HA ALA A 6 10.475 2.116 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.980 -0.216 -8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.146 0.938 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.485 -0.166 -9.140 1.00 0.00 H new ATOM 47 N LEU A 7 11.072 0.237 -5.665 1.00 0.00 N ATOM 48 CA LEU A 7 11.480 -0.646 -4.560 1.00 0.00 C ATOM 49 C LEU A 7 11.342 -2.115 -5.047 1.00 0.00 C ATOM 50 O LEU A 7 10.259 -2.570 -5.434 1.00 0.00 O ATOM 51 CB LEU A 7 10.588 -0.356 -3.311 1.00 0.00 C ATOM 52 CG LEU A 7 10.846 -1.260 -2.074 1.00 0.00 C ATOM 53 CD1 LEU A 7 12.264 -1.076 -1.506 1.00 0.00 C ATOM 54 CD2 LEU A 7 9.856 -1.073 -0.915 1.00 0.00 C ATOM 0 H LEU A 7 10.064 0.387 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 7 12.515 -0.469 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.735 0.683 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.543 -0.460 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 7 10.711 -2.265 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.398 -1.728 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.998 -1.331 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.402 -0.039 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.119 -1.747 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.899 -0.043 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.846 -1.297 -1.259 1.00 0.00 H new ATOM 55 N GLU A 8 12.441 -2.869 -4.898 1.00 0.00 N ATOM 56 CA GLU A 8 12.395 -4.357 -4.866 1.00 0.00 C ATOM 57 C GLU A 8 11.923 -4.814 -3.454 1.00 0.00 C ATOM 58 O GLU A 8 12.564 -4.545 -2.432 1.00 0.00 O ATOM 59 CB GLU A 8 13.760 -5.009 -5.201 1.00 0.00 C ATOM 60 CG GLU A 8 14.263 -4.777 -6.642 1.00 0.00 C ATOM 61 CD GLU A 8 15.539 -5.562 -6.971 1.00 0.00 C ATOM 62 OE1 GLU A 8 15.515 -6.812 -6.925 1.00 0.00 O ATOM 63 OE2 GLU A 8 16.571 -4.928 -7.288 1.00 0.00 O ATOM 0 H GLU A 8 13.379 -2.482 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 8 11.695 -4.685 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.508 -4.626 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.684 -6.083 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.479 -5.061 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.451 -3.713 -6.787 1.00 0.00 H new ATOM 64 N THR A 9 10.758 -5.470 -3.444 1.00 0.00 N ATOM 65 CA THR A 9 9.976 -5.768 -2.212 1.00 0.00 C ATOM 66 C THR A 9 9.889 -7.319 -2.150 1.00 0.00 C ATOM 67 O THR A 9 9.265 -7.932 -3.018 1.00 0.00 O ATOM 68 CB THR A 9 8.570 -5.074 -2.284 1.00 0.00 C ATOM 69 OG1 THR A 9 8.643 -3.753 -2.819 1.00 0.00 O ATOM 70 CG2 THR A 9 7.846 -4.950 -0.941 1.00 0.00 C ATOM 0 H THR A 9 10.316 -5.818 -4.295 1.00 0.00 H new ATOM 0 HA THR A 9 10.440 -5.381 -1.305 1.00 0.00 H new ATOM 0 HB THR A 9 8.008 -5.744 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.745 -3.361 -2.847 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.885 -4.459 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.685 -5.943 -0.522 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.452 -4.360 -0.254 1.00 0.00 H new ATOM 71 N TRP A 10 10.549 -7.970 -1.173 1.00 0.00 N ATOM 72 CA TRP A 10 10.727 -9.456 -1.182 1.00 0.00 C ATOM 73 C TRP A 10 9.716 -10.208 -0.266 1.00 0.00 C ATOM 74 O TRP A 10 9.211 -9.679 0.733 1.00 0.00 O ATOM 75 CB TRP A 10 12.211 -9.813 -0.865 1.00 0.00 C ATOM 76 CG TRP A 10 13.126 -9.722 -2.098 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.850 -8.587 -2.525 1.00 0.00 C ATOM 78 CD2 TRP A 10 13.324 -10.676 -3.080 1.00 0.00 C ATOM 79 NE1 TRP A 10 14.503 -8.816 -3.754 1.00 0.00 N ATOM 80 CE2 TRP A 10 14.159 -10.117 -4.080 1.00 0.00 C ATOM 81 CE3 TRP A 10 12.792 -11.986 -3.238 1.00 0.00 C ATOM 82 CZ2 TRP A 10 14.472 -10.865 -5.243 1.00 0.00 C ATOM 83 CZ3 TRP A 10 13.125 -12.704 -4.389 1.00 0.00 C ATOM 84 CH2 TRP A 10 13.953 -12.152 -5.375 1.00 0.00 C ATOM 0 H TRP A 10 10.969 -7.505 -0.368 1.00 0.00 H new ATOM 0 HA TRP A 10 10.495 -9.810 -2.186 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.584 -9.141 -0.092 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.257 -10.823 -0.458 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.898 -7.657 -1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.093 -8.172 -4.281 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.146 -12.415 -2.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 15.102 -10.445 -6.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 12.737 -13.703 -4.521 1.00 0.00 H new ATOM 0 HH2 TRP A 10 14.193 -12.734 -6.253 1.00 0.00 H new ATOM 85 N GLY A 11 9.440 -11.468 -0.649 1.00 0.00 N ATOM 86 CA GLY A 11 8.470 -12.337 0.043 1.00 0.00 C ATOM 87 C GLY A 11 8.550 -13.808 -0.429 1.00 0.00 C ATOM 88 O GLY A 11 9.607 -14.307 -0.826 1.00 0.00 O ATOM 0 H GLY A 11 9.885 -11.914 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.650 -12.293 1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.462 -11.959 -0.127 1.00 0.00 H new ATOM 89 N ALA A 12 7.415 -14.519 -0.315 1.00 0.00 N ATOM 90 CA ALA A 12 7.348 -15.997 -0.520 1.00 0.00 C ATOM 91 C ALA A 12 5.901 -16.457 -0.870 1.00 0.00 C ATOM 92 O ALA A 12 4.928 -15.733 -0.620 1.00 0.00 O ATOM 93 CB ALA A 12 7.825 -16.696 0.780 1.00 0.00 C ATOM 0 H ALA A 12 6.516 -14.098 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 12 7.991 -16.269 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.783 -17.777 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.850 -16.397 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.178 -16.406 1.608 1.00 0.00 H new ATOM 94 N LEU A 13 5.738 -17.721 -1.347 1.00 0.00 N ATOM 95 CA LEU A 13 4.426 -18.423 -1.234 1.00 0.00 C ATOM 96 C LEU A 13 4.258 -18.813 0.266 1.00 0.00 C ATOM 97 O LEU A 13 5.008 -19.644 0.795 1.00 0.00 O ATOM 98 CB LEU A 13 4.198 -19.723 -2.055 1.00 0.00 C ATOM 99 CG LEU A 13 3.978 -19.525 -3.575 1.00 0.00 C ATOM 100 CD1 LEU A 13 5.271 -19.614 -4.363 1.00 0.00 C ATOM 101 CD2 LEU A 13 2.943 -20.494 -4.183 1.00 0.00 C ATOM 0 H LEU A 13 6.474 -18.263 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 13 3.707 -17.714 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.059 -20.377 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.332 -20.243 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 13 3.577 -18.515 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.062 -19.468 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.960 -18.842 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.721 -20.595 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.842 -20.296 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.275 -21.521 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.979 -20.350 -3.694 1.00 0.00 H new ATOM 102 N GLY A 14 3.296 -18.173 0.931 1.00 0.00 N ATOM 103 CA GLY A 14 3.050 -18.372 2.385 1.00 0.00 C ATOM 104 C GLY A 14 3.197 -17.090 3.194 1.00 0.00 C ATOM 105 O GLY A 14 4.076 -17.033 4.060 1.00 0.00 O ATOM 0 H GLY A 14 2.662 -17.504 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.046 -18.771 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.747 -19.118 2.767 1.00 0.00 H new ATOM 106 N GLN A 15 2.375 -16.056 2.902 1.00 0.00 N ATOM 107 CA GLN A 15 2.619 -14.701 3.484 1.00 0.00 C ATOM 108 C GLN A 15 1.439 -13.705 3.301 1.00 0.00 C ATOM 109 O GLN A 15 0.873 -13.576 2.209 1.00 0.00 O ATOM 110 CB GLN A 15 3.952 -14.075 2.938 1.00 0.00 C ATOM 111 CG GLN A 15 4.705 -13.196 3.965 1.00 0.00 C ATOM 112 CD GLN A 15 6.161 -12.847 3.598 1.00 0.00 C ATOM 113 OE1 GLN A 15 6.786 -13.425 2.708 1.00 0.00 O ATOM 114 NE2 GLN A 15 6.746 -11.895 4.307 1.00 0.00 N ATOM 0 H GLN A 15 1.562 -16.120 2.289 1.00 0.00 H new ATOM 0 HA GLN A 15 2.711 -14.868 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.611 -14.879 2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.724 -13.473 2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.150 -12.268 4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.704 -13.709 4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.228 -11.417 5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.715 -11.640 4.116 1.00 0.00 H new ATOM 115 N ASP A 16 1.161 -12.931 4.372 1.00 0.00 N ATOM 116 CA ASP A 16 0.425 -11.643 4.287 1.00 0.00 C ATOM 117 C ASP A 16 1.475 -10.493 4.210 1.00 0.00 C ATOM 118 O ASP A 16 2.369 -10.379 5.054 1.00 0.00 O ATOM 119 CB ASP A 16 -0.538 -11.473 5.494 1.00 0.00 C ATOM 120 CG ASP A 16 -1.481 -10.249 5.485 1.00 0.00 C ATOM 121 OD1 ASP A 16 -0.999 -9.097 5.403 1.00 0.00 O ATOM 122 OD2 ASP A 16 -2.715 -10.438 5.588 1.00 0.00 O ATOM 0 H ASP A 16 1.439 -13.178 5.322 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.200 -11.620 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.152 -12.371 5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.064 -11.427 6.401 1.00 0.00 H new ATOM 123 N ILE A 17 1.318 -9.638 3.187 1.00 0.00 N ATOM 124 CA ILE A 17 2.271 -8.522 2.885 1.00 0.00 C ATOM 125 C ILE A 17 1.643 -7.146 3.305 1.00 0.00 C ATOM 126 O ILE A 17 0.449 -7.037 3.604 1.00 0.00 O ATOM 127 CB ILE A 17 2.678 -8.680 1.372 1.00 0.00 C ATOM 128 CG1 ILE A 17 3.509 -9.960 1.041 1.00 0.00 C ATOM 129 CG2 ILE A 17 3.359 -7.453 0.716 1.00 0.00 C ATOM 130 CD1 ILE A 17 4.910 -10.077 1.664 1.00 0.00 C ATOM 0 H ILE A 17 0.533 -9.688 2.538 1.00 0.00 H new ATOM 0 HA ILE A 17 3.192 -8.559 3.467 1.00 0.00 H new ATOM 0 HB ILE A 17 1.691 -8.781 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.928 -10.828 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.616 -10.021 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.593 -7.680 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.685 -6.597 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.279 -7.218 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.371 -11.013 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.526 -9.240 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.827 -10.060 2.751 1.00 0.00 H new ATOM 131 N ASN A 18 2.485 -6.092 3.343 1.00 0.00 N ATOM 132 CA ASN A 18 2.070 -4.703 3.673 1.00 0.00 C ATOM 133 C ASN A 18 2.758 -3.680 2.703 1.00 0.00 C ATOM 134 O ASN A 18 3.981 -3.744 2.516 1.00 0.00 O ATOM 135 CB ASN A 18 2.425 -4.468 5.172 1.00 0.00 C ATOM 136 CG ASN A 18 1.955 -3.157 5.833 1.00 0.00 C ATOM 137 OD1 ASN A 18 1.478 -2.225 5.193 1.00 0.00 O ATOM 138 ND2 ASN A 18 2.103 -3.055 7.145 1.00 0.00 N ATOM 0 H ASN A 18 3.482 -6.177 3.144 1.00 0.00 H new ATOM 0 HA ASN A 18 0.999 -4.554 3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.012 -5.297 5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.509 -4.521 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.820 -2.201 7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.500 -3.831 7.675 1.00 0.00 H new ATOM 139 N LEU A 19 1.997 -2.706 2.140 1.00 0.00 N ATOM 140 CA LEU A 19 2.585 -1.487 1.486 1.00 0.00 C ATOM 141 C LEU A 19 2.372 -0.238 2.383 1.00 0.00 C ATOM 142 O LEU A 19 1.499 0.590 2.111 1.00 0.00 O ATOM 143 CB LEU A 19 2.163 -1.247 -0.014 1.00 0.00 C ATOM 144 CG LEU A 19 3.128 -1.865 -1.071 1.00 0.00 C ATOM 145 CD1 LEU A 19 4.614 -1.466 -0.936 1.00 0.00 C ATOM 146 CD2 LEU A 19 3.051 -3.381 -1.201 1.00 0.00 C ATOM 0 H LEU A 19 0.978 -2.732 2.121 1.00 0.00 H new ATOM 0 HA LEU A 19 3.654 -1.683 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.166 -1.661 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.093 -0.174 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 19 2.737 -1.410 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.194 -1.952 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.710 -0.384 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.988 -1.780 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.758 -3.718 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.299 -3.841 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.041 -3.670 -1.492 1.00 0.00 H new ATOM 147 N ASP A 20 3.223 -0.108 3.420 1.00 0.00 N ATOM 148 CA ASP A 20 3.294 1.090 4.295 1.00 0.00 C ATOM 149 C ASP A 20 4.791 1.512 4.334 1.00 0.00 C ATOM 150 O ASP A 20 5.550 1.003 5.170 1.00 0.00 O ATOM 151 CB ASP A 20 2.716 0.730 5.693 1.00 0.00 C ATOM 152 CG ASP A 20 2.729 1.856 6.739 1.00 0.00 C ATOM 153 OD1 ASP A 20 2.271 2.981 6.439 1.00 0.00 O ATOM 154 OD2 ASP A 20 3.200 1.616 7.870 1.00 0.00 O ATOM 0 H ASP A 20 3.889 -0.836 3.680 1.00 0.00 H new ATOM 0 HA ASP A 20 2.701 1.928 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.687 0.394 5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.279 -0.114 6.090 1.00 0.00 H new ATOM 155 N ILE A 21 5.220 2.414 3.422 1.00 0.00 N ATOM 156 CA ILE A 21 6.654 2.820 3.287 1.00 0.00 C ATOM 157 C ILE A 21 6.878 4.308 3.769 1.00 0.00 C ATOM 158 O ILE A 21 6.007 5.153 3.535 1.00 0.00 O ATOM 159 CB ILE A 21 7.224 2.430 1.858 1.00 0.00 C ATOM 160 CG1 ILE A 21 8.058 1.108 1.901 1.00 0.00 C ATOM 161 CG2 ILE A 21 8.085 3.509 1.147 1.00 0.00 C ATOM 162 CD1 ILE A 21 7.243 -0.187 2.005 1.00 0.00 C ATOM 0 H ILE A 21 4.597 2.881 2.762 1.00 0.00 H new ATOM 0 HA ILE A 21 7.275 2.243 3.973 1.00 0.00 H new ATOM 0 HB ILE A 21 6.313 2.311 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.673 1.058 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.739 1.157 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.418 3.130 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.489 4.410 0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.953 3.746 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.919 -1.042 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.649 -0.170 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.581 -0.271 1.143 1.00 0.00 H new ATOM 163 N PRO A 22 8.041 4.678 4.400 1.00 0.00 N ATOM 164 CA PRO A 22 8.318 6.063 4.881 1.00 0.00 C ATOM 165 C PRO A 22 8.919 7.018 3.795 1.00 0.00 C ATOM 166 O PRO A 22 8.975 6.703 2.603 1.00 0.00 O ATOM 167 CB PRO A 22 9.265 5.731 6.063 1.00 0.00 C ATOM 168 CG PRO A 22 10.105 4.544 5.588 1.00 0.00 C ATOM 169 CD PRO A 22 9.131 3.730 4.738 1.00 0.00 C ATOM 0 HA PRO A 22 7.437 6.643 5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.896 6.584 6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.700 5.479 6.960 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.968 4.871 5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.487 3.962 6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.615 3.347 3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.750 2.869 5.287 1.00 0.00 H new ATOM 170 N SER A 23 9.356 8.193 4.279 1.00 0.00 N ATOM 171 CA SER A 23 10.208 9.184 3.555 1.00 0.00 C ATOM 172 C SER A 23 9.445 10.333 2.821 1.00 0.00 C ATOM 173 O SER A 23 9.746 10.655 1.665 1.00 0.00 O ATOM 174 CB SER A 23 11.432 8.605 2.784 1.00 0.00 C ATOM 175 OG SER A 23 11.080 8.076 1.511 1.00 0.00 O ATOM 0 H SER A 23 9.122 8.502 5.223 1.00 0.00 H new ATOM 0 HA SER A 23 10.682 9.704 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.178 9.389 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.896 7.821 3.383 1.00 0.00 H new ATOM 0 HG SER A 23 10.295 7.497 1.603 1.00 0.00 H new ATOM 176 N PHE A 24 8.540 11.023 3.543 1.00 0.00 N ATOM 177 CA PHE A 24 8.128 12.412 3.202 1.00 0.00 C ATOM 178 C PHE A 24 7.518 13.052 4.479 1.00 0.00 C ATOM 179 O PHE A 24 6.558 12.529 5.058 1.00 0.00 O ATOM 180 CB PHE A 24 7.154 12.510 1.989 1.00 0.00 C ATOM 181 CG PHE A 24 6.958 13.946 1.460 1.00 0.00 C ATOM 182 CD1 PHE A 24 7.939 14.546 0.656 1.00 0.00 C ATOM 183 CD2 PHE A 24 5.816 14.674 1.799 1.00 0.00 C ATOM 184 CE1 PHE A 24 7.766 15.851 0.195 1.00 0.00 C ATOM 185 CE2 PHE A 24 5.647 15.976 1.341 1.00 0.00 C ATOM 186 CZ PHE A 24 6.622 16.565 0.536 1.00 0.00 C ATOM 0 H PHE A 24 8.076 10.646 4.369 1.00 0.00 H new ATOM 0 HA PHE A 24 9.013 12.959 2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.532 11.884 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.185 12.105 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.830 13.996 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.058 14.222 2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.521 16.308 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.760 16.531 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.489 17.575 0.178 1.00 0.00 H new ATOM 187 N GLN A 25 8.049 14.227 4.862 1.00 0.00 N ATOM 188 CA GLN A 25 7.516 15.028 5.995 1.00 0.00 C ATOM 189 C GLN A 25 6.394 15.957 5.451 1.00 0.00 C ATOM 190 O GLN A 25 6.660 16.915 4.715 1.00 0.00 O ATOM 191 CB GLN A 25 8.644 15.832 6.701 1.00 0.00 C ATOM 192 CG GLN A 25 9.625 15.030 7.594 1.00 0.00 C ATOM 193 CD GLN A 25 10.680 14.185 6.856 1.00 0.00 C ATOM 194 OE1 GLN A 25 10.461 13.013 6.545 1.00 0.00 O ATOM 195 NE2 GLN A 25 11.847 14.745 6.574 1.00 0.00 N ATOM 0 H GLN A 25 8.855 14.652 4.403 1.00 0.00 H new ATOM 0 HA GLN A 25 7.098 14.365 6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.225 16.345 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.178 16.602 7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.144 15.731 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.042 14.368 8.234 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.023 15.716 6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.570 14.206 6.097 1.00 0.00 H new ATOM 196 N MET A 26 5.140 15.626 5.808 1.00 0.00 N ATOM 197 CA MET A 26 3.925 16.322 5.305 1.00 0.00 C ATOM 198 C MET A 26 3.263 17.123 6.461 1.00 0.00 C ATOM 199 O MET A 26 3.141 16.641 7.594 1.00 0.00 O ATOM 200 CB MET A 26 2.979 15.244 4.701 1.00 0.00 C ATOM 201 CG MET A 26 1.763 15.754 3.906 1.00 0.00 C ATOM 202 SD MET A 26 2.270 16.871 2.579 1.00 0.00 S ATOM 203 CE MET A 26 0.679 17.252 1.823 1.00 0.00 C ATOM 0 H MET A 26 4.932 14.866 6.456 1.00 0.00 H new ATOM 0 HA MET A 26 4.169 17.046 4.527 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.569 14.603 4.046 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.614 14.618 5.515 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.220 14.908 3.485 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.077 16.271 4.577 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.814 18.014 1.056 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.266 16.350 1.370 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.007 17.622 2.585 1.00 0.00 H new ATOM 204 N SER A 27 2.766 18.329 6.129 1.00 0.00 N ATOM 205 CA SER A 27 1.883 19.134 7.032 1.00 0.00 C ATOM 206 C SER A 27 0.510 18.499 7.474 1.00 0.00 C ATOM 207 O SER A 27 -0.075 18.960 8.457 1.00 0.00 O ATOM 208 CB SER A 27 1.652 20.491 6.327 1.00 0.00 C ATOM 209 OG SER A 27 1.017 21.425 7.194 1.00 0.00 O ATOM 0 H SER A 27 2.956 18.782 5.235 1.00 0.00 H new ATOM 0 HA SER A 27 2.410 19.211 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.607 20.895 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.038 20.341 5.439 1.00 0.00 H new ATOM 0 HG SER A 27 0.886 22.273 6.721 1.00 0.00 H new ATOM 210 N ASP A 28 0.027 17.464 6.759 1.00 0.00 N ATOM 211 CA ASP A 28 -1.199 16.682 7.061 1.00 0.00 C ATOM 212 C ASP A 28 -2.470 17.367 6.483 1.00 0.00 C ATOM 213 O ASP A 28 -3.283 17.939 7.215 1.00 0.00 O ATOM 214 CB ASP A 28 -1.308 16.157 8.525 1.00 0.00 C ATOM 215 CG ASP A 28 -2.286 14.986 8.699 1.00 0.00 C ATOM 216 OD1 ASP A 28 -1.917 13.834 8.370 1.00 0.00 O ATOM 217 OD2 ASP A 28 -3.428 15.208 9.160 1.00 0.00 O ATOM 0 H ASP A 28 0.498 17.132 5.917 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.107 15.741 6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.320 15.844 8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.621 16.977 9.171 1.00 0.00 H new ATOM 218 N ASP A 29 -2.632 17.256 5.151 1.00 0.00 N ATOM 219 CA ASP A 29 -3.926 17.481 4.462 1.00 0.00 C ATOM 220 C ASP A 29 -3.905 16.519 3.240 1.00 0.00 C ATOM 221 O ASP A 29 -3.539 16.921 2.130 1.00 0.00 O ATOM 222 CB ASP A 29 -4.118 18.987 4.105 1.00 0.00 C ATOM 223 CG ASP A 29 -5.466 19.319 3.454 1.00 0.00 C ATOM 224 OD1 ASP A 29 -6.494 19.338 4.166 1.00 0.00 O ATOM 225 OD2 ASP A 29 -5.503 19.552 2.224 1.00 0.00 O ATOM 0 H ASP A 29 -1.872 17.008 4.518 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.792 17.259 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.012 19.579 5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.318 19.292 3.431 1.00 0.00 H new ATOM 226 N ILE A 30 -4.272 15.241 3.472 1.00 0.00 N ATOM 227 CA ILE A 30 -4.228 14.173 2.442 1.00 0.00 C ATOM 228 C ILE A 30 -5.385 13.172 2.724 1.00 0.00 C ATOM 229 O ILE A 30 -5.563 12.697 3.854 1.00 0.00 O ATOM 230 CB ILE A 30 -2.846 13.441 2.245 1.00 0.00 C ATOM 231 CG1 ILE A 30 -2.268 12.630 3.446 1.00 0.00 C ATOM 232 CG2 ILE A 30 -1.770 14.333 1.587 1.00 0.00 C ATOM 233 CD1 ILE A 30 -1.758 13.415 4.669 1.00 0.00 C ATOM 0 H ILE A 30 -4.608 14.917 4.379 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.360 14.670 1.481 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.131 12.658 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.042 11.943 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.445 12.021 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.844 13.768 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.114 14.653 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.591 15.208 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.387 12.718 5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.952 14.081 4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.574 14.002 5.090 1.00 0.00 H new ATOM 234 N ASP A 31 -6.141 12.849 1.662 1.00 0.00 N ATOM 235 CA ASP A 31 -7.265 11.874 1.717 1.00 0.00 C ATOM 236 C ASP A 31 -6.971 10.624 0.835 1.00 0.00 C ATOM 237 O ASP A 31 -7.003 9.501 1.345 1.00 0.00 O ATOM 238 CB ASP A 31 -8.588 12.596 1.336 1.00 0.00 C ATOM 239 CG ASP A 31 -9.865 11.806 1.655 1.00 0.00 C ATOM 240 OD1 ASP A 31 -10.175 10.842 0.923 1.00 0.00 O ATOM 241 OD2 ASP A 31 -10.558 12.139 2.644 1.00 0.00 O ATOM 0 H ASP A 31 -5.997 13.252 0.736 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.376 11.495 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.628 13.552 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.571 12.817 0.269 1.00 0.00 H new ATOM 242 N ASP A 32 -6.752 10.816 -0.482 1.00 0.00 N ATOM 243 CA ASP A 32 -6.792 9.716 -1.480 1.00 0.00 C ATOM 244 C ASP A 32 -5.410 9.017 -1.567 1.00 0.00 C ATOM 245 O ASP A 32 -4.384 9.685 -1.741 1.00 0.00 O ATOM 246 CB ASP A 32 -7.196 10.240 -2.891 1.00 0.00 C ATOM 247 CG ASP A 32 -8.461 11.107 -3.068 1.00 0.00 C ATOM 248 OD1 ASP A 32 -9.273 11.246 -2.124 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.638 11.659 -4.175 1.00 0.00 O ATOM 0 H ASP A 32 -6.544 11.729 -0.886 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.545 9.001 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.354 10.816 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.308 9.370 -3.538 1.00 0.00 H new ATOM 250 N ILE A 33 -5.388 7.680 -1.419 1.00 0.00 N ATOM 251 CA ILE A 33 -4.122 6.886 -1.386 1.00 0.00 C ATOM 252 C ILE A 33 -4.401 5.634 -2.273 1.00 0.00 C ATOM 253 O ILE A 33 -5.196 4.756 -1.919 1.00 0.00 O ATOM 254 CB ILE A 33 -3.619 6.596 0.075 1.00 0.00 C ATOM 255 CG1 ILE A 33 -3.321 7.928 0.850 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.380 5.662 0.073 1.00 0.00 C ATOM 257 CD1 ILE A 33 -2.834 7.825 2.298 1.00 0.00 C ATOM 0 H ILE A 33 -6.231 7.114 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.273 7.435 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.422 6.078 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.572 8.483 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.231 8.527 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.058 5.482 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.640 4.714 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.570 6.133 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.671 8.825 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.584 7.311 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.899 7.265 2.329 1.00 0.00 H new ATOM 258 N LYS A 34 -3.734 5.598 -3.439 1.00 0.00 N ATOM 259 CA LYS A 34 -4.152 4.779 -4.605 1.00 0.00 C ATOM 260 C LYS A 34 -3.040 3.784 -5.014 1.00 0.00 C ATOM 261 O LYS A 34 -1.868 4.158 -5.087 1.00 0.00 O ATOM 262 CB LYS A 34 -4.483 5.805 -5.726 1.00 0.00 C ATOM 263 CG LYS A 34 -4.949 5.247 -7.084 1.00 0.00 C ATOM 264 CD LYS A 34 -5.257 6.349 -8.119 1.00 0.00 C ATOM 265 CE LYS A 34 -6.055 5.894 -9.356 1.00 0.00 C ATOM 266 NZ LYS A 34 -5.215 5.576 -10.522 1.00 0.00 N ATOM 0 H LYS A 34 -2.884 6.137 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.018 4.154 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.259 6.473 -5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.595 6.413 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.178 4.588 -7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.841 4.639 -6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.813 7.144 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.314 6.781 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.644 5.015 -9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.760 6.679 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.427 6.240 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.212 5.658 -10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.412 4.605 -10.837 1.00 0.00 H new ATOM 267 N TRP A 35 -3.430 2.524 -5.307 1.00 0.00 N ATOM 268 CA TRP A 35 -2.460 1.432 -5.617 1.00 0.00 C ATOM 269 C TRP A 35 -2.945 0.579 -6.841 1.00 0.00 C ATOM 270 O TRP A 35 -4.028 -0.033 -6.840 1.00 0.00 O ATOM 271 CB TRP A 35 -2.174 0.573 -4.353 1.00 0.00 C ATOM 272 CG TRP A 35 -1.207 1.242 -3.346 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.549 1.921 -2.180 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.153 1.191 -3.301 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.468 2.260 -1.372 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.598 1.828 -2.112 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.043 0.479 -4.099 1.00 0.00 C ATOM 278 CZ2 TRP A 35 1.954 1.790 -1.748 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.387 0.454 -3.748 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.832 1.099 -2.583 1.00 0.00 C ATOM 0 H TRP A 35 -4.406 2.231 -5.337 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.511 1.879 -5.912 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.117 0.360 -3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.755 -0.384 -4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.569 2.165 -1.924 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.470 2.715 -0.459 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.695 -0.045 -4.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.305 2.279 -0.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.095 -0.066 -4.376 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.880 1.059 -2.327 1.00 0.00 H new ATOM 281 N GLU A 36 -2.065 0.588 -7.864 1.00 0.00 N ATOM 282 CA GLU A 36 -2.242 -0.084 -9.185 1.00 0.00 C ATOM 283 C GLU A 36 -1.263 -1.300 -9.338 1.00 0.00 C ATOM 284 O GLU A 36 -0.386 -1.491 -8.491 1.00 0.00 O ATOM 285 CB GLU A 36 -1.913 0.963 -10.310 1.00 0.00 C ATOM 286 CG GLU A 36 -3.008 1.960 -10.733 1.00 0.00 C ATOM 287 CD GLU A 36 -3.447 2.901 -9.621 1.00 0.00 C ATOM 288 OE1 GLU A 36 -2.688 3.841 -9.293 1.00 0.00 O ATOM 289 OE2 GLU A 36 -4.542 2.687 -9.054 1.00 0.00 O ATOM 0 H GLU A 36 -1.174 1.081 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.266 -0.451 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.049 1.540 -9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.608 0.410 -11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.643 2.551 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.875 1.403 -11.088 1.00 0.00 H new ATOM 290 N LYS A 37 -1.349 -2.068 -10.458 1.00 0.00 N ATOM 291 CA LYS A 37 -0.186 -2.852 -10.975 1.00 0.00 C ATOM 292 C LYS A 37 0.452 -2.117 -12.192 1.00 0.00 C ATOM 293 O LYS A 37 -0.243 -1.660 -13.105 1.00 0.00 O ATOM 294 CB LYS A 37 -0.627 -4.310 -11.283 1.00 0.00 C ATOM 295 CG LYS A 37 0.354 -5.210 -12.073 1.00 0.00 C ATOM 296 CD LYS A 37 -0.134 -6.656 -12.277 1.00 0.00 C ATOM 297 CE LYS A 37 0.015 -7.542 -11.030 1.00 0.00 C ATOM 298 NZ LYS A 37 -0.432 -8.923 -11.286 1.00 0.00 N ATOM 0 H LYS A 37 -2.198 -2.163 -11.016 1.00 0.00 H new ATOM 0 HA LYS A 37 0.595 -2.921 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.843 -4.802 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.563 -4.266 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.536 -4.760 -13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.310 -5.232 -11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.182 -6.637 -12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.423 -7.105 -13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.057 -7.550 -10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.565 -7.118 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.317 -9.491 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.434 -8.917 -11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.139 -9.336 -12.051 1.00 0.00 H new ATOM 299 N THR A 38 1.801 -2.100 -12.213 1.00 0.00 N ATOM 300 CA THR A 38 2.598 -1.767 -13.430 1.00 0.00 C ATOM 301 C THR A 38 3.130 -3.095 -14.048 1.00 0.00 C ATOM 302 O THR A 38 4.189 -3.609 -13.672 1.00 0.00 O ATOM 303 CB THR A 38 3.744 -0.740 -13.154 1.00 0.00 C ATOM 304 OG1 THR A 38 4.397 -0.988 -11.907 1.00 0.00 O ATOM 305 CG2 THR A 38 3.264 0.716 -13.195 1.00 0.00 C ATOM 0 H THR A 38 2.373 -2.314 -11.396 1.00 0.00 H new ATOM 0 HA THR A 38 1.948 -1.264 -14.146 1.00 0.00 H new ATOM 0 HB THR A 38 4.458 -0.884 -13.965 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.107 -0.326 -11.772 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.104 1.382 -12.996 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.852 0.936 -14.180 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.494 0.867 -12.438 1.00 0.00 H new ATOM 306 N SER A 39 2.360 -3.615 -15.018 1.00 0.00 N ATOM 307 CA SER A 39 2.760 -4.742 -15.899 1.00 0.00 C ATOM 308 C SER A 39 1.849 -4.645 -17.157 1.00 0.00 C ATOM 309 O SER A 39 2.313 -4.180 -18.203 1.00 0.00 O ATOM 310 CB SER A 39 2.756 -6.120 -15.189 1.00 0.00 C ATOM 311 OG SER A 39 3.260 -7.133 -16.050 1.00 0.00 O ATOM 0 H SER A 39 1.425 -3.263 -15.221 1.00 0.00 H new ATOM 0 HA SER A 39 3.806 -4.659 -16.195 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.363 -6.070 -14.285 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.742 -6.371 -14.879 1.00 0.00 H new ATOM 0 HG SER A 39 3.251 -7.994 -15.582 1.00 0.00 H new ATOM 312 N ASP A 40 0.552 -5.011 -17.039 1.00 0.00 N ATOM 313 CA ASP A 40 -0.498 -4.630 -18.025 1.00 0.00 C ATOM 314 C ASP A 40 -1.054 -3.174 -17.845 1.00 0.00 C ATOM 315 O ASP A 40 -1.328 -2.544 -18.870 1.00 0.00 O ATOM 316 CB ASP A 40 -1.617 -5.708 -17.974 1.00 0.00 C ATOM 317 CG ASP A 40 -2.711 -5.580 -19.043 1.00 0.00 C ATOM 318 OD1 ASP A 40 -2.466 -5.968 -20.208 1.00 0.00 O ATOM 319 OD2 ASP A 40 -3.812 -5.077 -18.728 1.00 0.00 O ATOM 0 H ASP A 40 0.201 -5.575 -16.265 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.045 -4.604 -19.016 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.155 -6.691 -18.069 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.088 -5.671 -16.992 1.00 0.00 H new ATOM 320 N LYS A 41 -1.250 -2.683 -16.596 1.00 0.00 N ATOM 321 CA LYS A 41 -2.005 -1.449 -16.231 1.00 0.00 C ATOM 322 C LYS A 41 -3.307 -1.951 -15.555 1.00 0.00 C ATOM 323 O LYS A 41 -4.266 -2.329 -16.237 1.00 0.00 O ATOM 324 CB LYS A 41 -2.302 -0.314 -17.257 1.00 0.00 C ATOM 325 CG LYS A 41 -1.067 0.503 -17.698 1.00 0.00 C ATOM 326 CD LYS A 41 -1.330 1.509 -18.837 1.00 0.00 C ATOM 327 CE LYS A 41 -2.210 2.716 -18.456 1.00 0.00 C ATOM 328 NZ LYS A 41 -2.433 3.601 -19.615 1.00 0.00 N ATOM 0 H LYS A 41 -0.870 -3.155 -15.775 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.308 -0.887 -15.610 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.763 -0.755 -18.141 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.034 0.367 -16.822 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.681 1.045 -16.835 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.286 -0.188 -18.016 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.372 1.879 -19.202 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.804 0.981 -19.664 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.168 2.364 -18.074 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.733 3.278 -17.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.028 4.404 -19.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.519 3.954 -19.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.909 3.069 -20.371 1.00 0.00 H new ATOM 329 N LYS A 42 -3.301 -1.971 -14.209 1.00 0.00 N ATOM 330 CA LYS A 42 -4.414 -2.518 -13.398 1.00 0.00 C ATOM 331 C LYS A 42 -4.763 -1.521 -12.271 1.00 0.00 C ATOM 332 O LYS A 42 -3.959 -1.336 -11.369 1.00 0.00 O ATOM 333 CB LYS A 42 -4.085 -3.951 -12.881 1.00 0.00 C ATOM 334 CG LYS A 42 -5.227 -4.983 -12.996 1.00 0.00 C ATOM 335 CD LYS A 42 -5.497 -5.528 -14.422 1.00 0.00 C ATOM 336 CE LYS A 42 -4.353 -6.323 -15.091 1.00 0.00 C ATOM 337 NZ LYS A 42 -4.004 -7.568 -14.381 1.00 0.00 N ATOM 0 H LYS A 42 -2.528 -1.610 -13.650 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.303 -2.633 -14.018 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.223 -4.327 -13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.788 -3.880 -11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.999 -5.825 -12.342 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.143 -4.527 -12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.377 -6.169 -14.380 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.747 -4.685 -15.066 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.641 -6.567 -16.114 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.468 -5.689 -15.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.231 -8.049 -14.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.699 -7.342 -13.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.835 -8.192 -14.345 1.00 0.00 H new ATOM 338 N LYS A 43 -5.965 -0.920 -12.286 1.00 0.00 N ATOM 339 CA LYS A 43 -6.485 -0.134 -11.128 1.00 0.00 C ATOM 340 C LYS A 43 -7.185 -1.116 -10.155 1.00 0.00 C ATOM 341 O LYS A 43 -8.379 -1.416 -10.284 1.00 0.00 O ATOM 342 CB LYS A 43 -7.379 1.019 -11.656 1.00 0.00 C ATOM 343 CG LYS A 43 -7.682 2.132 -10.623 1.00 0.00 C ATOM 344 CD LYS A 43 -8.713 3.187 -11.079 1.00 0.00 C ATOM 345 CE LYS A 43 -10.193 2.806 -10.869 1.00 0.00 C ATOM 346 NZ LYS A 43 -10.731 1.914 -11.914 1.00 0.00 N ATOM 0 H LYS A 43 -6.602 -0.957 -13.081 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.693 0.352 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.893 1.469 -12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.323 0.598 -12.003 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.043 1.666 -9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.750 2.641 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.516 4.116 -10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.555 3.389 -12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.300 2.320 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.792 3.716 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.582 2.342 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.015 1.776 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.976 0.995 -11.494 1.00 0.00 H new ATOM 347 N ILE A 44 -6.388 -1.648 -9.207 1.00 0.00 N ATOM 348 CA ILE A 44 -6.800 -2.784 -8.341 1.00 0.00 C ATOM 349 C ILE A 44 -7.637 -2.240 -7.147 1.00 0.00 C ATOM 350 O ILE A 44 -8.796 -2.648 -7.024 1.00 0.00 O ATOM 351 CB ILE A 44 -5.621 -3.740 -7.907 1.00 0.00 C ATOM 352 CG1 ILE A 44 -4.704 -4.193 -9.084 1.00 0.00 C ATOM 353 CG2 ILE A 44 -6.200 -4.992 -7.189 1.00 0.00 C ATOM 354 CD1 ILE A 44 -3.411 -4.932 -8.700 1.00 0.00 C ATOM 0 H ILE A 44 -5.445 -1.309 -9.016 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.431 -3.443 -8.937 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.991 -3.159 -7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.286 -4.841 -9.740 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.434 -3.311 -9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.384 -5.650 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.756 -4.680 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.866 -5.525 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.860 -5.195 -9.603 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.795 -4.286 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.660 -5.840 -8.150 1.00 0.00 H new ATOM 355 N ALA A 45 -7.077 -1.361 -6.282 1.00 0.00 N ATOM 356 CA ALA A 45 -7.846 -0.811 -5.141 1.00 0.00 C ATOM 357 C ALA A 45 -7.269 0.577 -4.789 1.00 0.00 C ATOM 358 O ALA A 45 -6.060 0.788 -4.626 1.00 0.00 O ATOM 359 CB ALA A 45 -7.881 -1.783 -3.950 1.00 0.00 C ATOM 0 H ALA A 45 -6.117 -1.024 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.892 -0.686 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.455 -1.340 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.349 -2.718 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.864 -1.981 -3.612 1.00 0.00 H new ATOM 360 N GLN A 46 -8.211 1.520 -4.709 1.00 0.00 N ATOM 361 CA GLN A 46 -7.951 2.962 -4.543 1.00 0.00 C ATOM 362 C GLN A 46 -8.872 3.435 -3.395 1.00 0.00 C ATOM 363 O GLN A 46 -10.082 3.171 -3.365 1.00 0.00 O ATOM 364 CB GLN A 46 -8.320 3.660 -5.896 1.00 0.00 C ATOM 365 CG GLN A 46 -8.501 5.208 -5.884 1.00 0.00 C ATOM 366 CD GLN A 46 -8.919 5.898 -7.197 1.00 0.00 C ATOM 367 OE1 GLN A 46 -8.464 7.004 -7.496 1.00 0.00 O ATOM 368 NE2 GLN A 46 -9.817 5.328 -7.992 1.00 0.00 N ATOM 0 H GLN A 46 -9.206 1.301 -4.759 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.914 3.195 -4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.543 3.418 -6.621 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.246 3.216 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.247 5.451 -5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.560 5.652 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.200 4.413 -7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.123 5.805 -8.840 1.00 0.00 H new ATOM 369 N PHE A 47 -8.273 4.245 -2.512 1.00 0.00 N ATOM 370 CA PHE A 47 -9.032 5.027 -1.511 1.00 0.00 C ATOM 371 C PHE A 47 -9.272 6.452 -2.035 1.00 0.00 C ATOM 372 O PHE A 47 -8.348 7.128 -2.498 1.00 0.00 O ATOM 373 CB PHE A 47 -8.303 5.012 -0.135 1.00 0.00 C ATOM 374 CG PHE A 47 -8.874 3.932 0.795 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.789 2.580 0.451 1.00 0.00 C ATOM 376 CD2 PHE A 47 -9.626 4.310 1.908 1.00 0.00 C ATOM 377 CE1 PHE A 47 -9.456 1.621 1.208 1.00 0.00 C ATOM 378 CE2 PHE A 47 -10.260 3.344 2.690 1.00 0.00 C ATOM 379 CZ PHE A 47 -10.177 2.002 2.334 1.00 0.00 C ATOM 0 H PHE A 47 -7.263 4.380 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.007 4.567 -1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.238 4.835 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.399 5.989 0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.204 2.278 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.718 5.355 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.413 0.581 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.814 3.638 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.674 1.254 2.934 1.00 0.00 H new ATOM 380 N ARG A 48 -10.539 6.884 -1.928 1.00 0.00 N ATOM 381 CA ARG A 48 -10.939 8.287 -2.172 1.00 0.00 C ATOM 382 C ARG A 48 -12.326 8.544 -1.524 1.00 0.00 C ATOM 383 O ARG A 48 -13.274 7.785 -1.745 1.00 0.00 O ATOM 384 CB ARG A 48 -10.904 8.699 -3.675 1.00 0.00 C ATOM 385 CG ARG A 48 -11.802 7.914 -4.660 1.00 0.00 C ATOM 386 CD ARG A 48 -11.663 8.412 -6.110 1.00 0.00 C ATOM 387 NE ARG A 48 -12.536 7.631 -7.017 1.00 0.00 N ATOM 388 CZ ARG A 48 -12.607 7.815 -8.349 1.00 0.00 C ATOM 389 NH1 ARG A 48 -11.881 8.709 -9.016 1.00 0.00 N ATOM 390 NH2 ARG A 48 -13.447 7.064 -9.038 1.00 0.00 N ATOM 0 H ARG A 48 -11.316 6.275 -1.671 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.196 8.929 -1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.177 9.752 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.874 8.615 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.545 6.856 -4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.842 8.002 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.926 9.468 -6.164 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.625 8.325 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.123 6.905 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.222 9.306 -8.516 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.984 8.797 -10.027 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.019 6.368 -8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.524 7.180 -10.049 1.00 0.00 H new ATOM 391 N LYS A 49 -12.443 9.642 -0.751 1.00 0.00 N ATOM 392 CA LYS A 49 -13.730 10.140 -0.184 1.00 0.00 C ATOM 393 C LYS A 49 -14.289 9.257 0.980 1.00 0.00 C ATOM 394 O LYS A 49 -14.202 8.025 0.957 1.00 0.00 O ATOM 395 CB LYS A 49 -14.776 10.436 -1.307 1.00 0.00 C ATOM 396 CG LYS A 49 -15.967 11.328 -0.885 1.00 0.00 C ATOM 397 CD LYS A 49 -16.906 11.712 -2.048 1.00 0.00 C ATOM 398 CE LYS A 49 -18.168 12.499 -1.625 1.00 0.00 C ATOM 399 NZ LYS A 49 -17.878 13.858 -1.121 1.00 0.00 N ATOM 0 H LYS A 49 -11.643 10.220 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.509 11.095 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.263 10.915 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.167 9.487 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.545 10.807 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.581 12.239 -0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.346 12.309 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.217 10.802 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.842 12.573 -2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.693 11.938 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.768 14.327 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.259 13.794 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.403 14.410 -1.864 1.00 0.00 H new ATOM 400 N GLU A 50 -14.954 9.914 1.954 1.00 0.00 N ATOM 401 CA GLU A 50 -15.732 9.252 3.035 1.00 0.00 C ATOM 402 C GLU A 50 -16.997 8.402 2.662 1.00 0.00 C ATOM 403 O GLU A 50 -17.668 7.843 3.536 1.00 0.00 O ATOM 404 CB GLU A 50 -16.150 10.296 4.118 1.00 0.00 C ATOM 405 CG GLU A 50 -15.062 11.166 4.797 1.00 0.00 C ATOM 406 CD GLU A 50 -14.628 12.399 3.991 1.00 0.00 C ATOM 407 OE1 GLU A 50 -15.430 13.350 3.856 1.00 0.00 O ATOM 408 OE2 GLU A 50 -13.481 12.419 3.494 1.00 0.00 O ATOM 0 H GLU A 50 -14.969 10.932 2.017 1.00 0.00 H new ATOM 0 HA GLU A 50 -15.016 8.509 3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.870 10.973 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.676 9.757 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.434 11.496 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.186 10.546 4.985 1.00 0.00 H new ATOM 409 N LYS A 51 -17.308 8.318 1.366 1.00 0.00 N ATOM 410 CA LYS A 51 -18.492 7.628 0.810 1.00 0.00 C ATOM 411 C LYS A 51 -18.229 7.412 -0.700 1.00 0.00 C ATOM 412 O LYS A 51 -17.952 8.339 -1.468 1.00 0.00 O ATOM 413 CB LYS A 51 -19.860 8.303 1.093 1.00 0.00 C ATOM 414 CG LYS A 51 -19.986 9.830 0.846 1.00 0.00 C ATOM 415 CD LYS A 51 -21.204 10.499 1.518 1.00 0.00 C ATOM 416 CE LYS A 51 -21.165 10.594 3.060 1.00 0.00 C ATOM 417 NZ LYS A 51 -20.162 11.548 3.573 1.00 0.00 N ATOM 0 H LYS A 51 -16.726 8.741 0.643 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.603 6.677 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.611 7.803 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.117 8.111 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.079 10.317 1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.040 10.006 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.307 11.507 1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.099 9.948 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.150 10.888 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.956 9.606 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -20.193 11.559 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.214 11.258 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.371 12.500 3.211 1.00 0.00 H new ATOM 418 N GLU A 52 -18.313 6.127 -1.055 1.00 0.00 N ATOM 419 CA GLU A 52 -17.876 5.552 -2.360 1.00 0.00 C ATOM 420 C GLU A 52 -16.330 5.375 -2.370 1.00 0.00 C ATOM 421 O GLU A 52 -15.582 6.348 -2.506 1.00 0.00 O ATOM 422 CB GLU A 52 -18.454 6.237 -3.640 1.00 0.00 C ATOM 423 CG GLU A 52 -18.232 5.495 -4.983 1.00 0.00 C ATOM 424 CD GLU A 52 -18.949 4.147 -5.099 1.00 0.00 C ATOM 425 OE1 GLU A 52 -20.167 4.131 -5.394 1.00 0.00 O ATOM 426 OE2 GLU A 52 -18.300 3.097 -4.894 1.00 0.00 O ATOM 0 H GLU A 52 -18.699 5.421 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.335 4.566 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.526 6.373 -3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.014 7.231 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.565 6.139 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -17.163 5.335 -5.121 1.00 0.00 H new ATOM 427 N THR A 53 -15.886 4.116 -2.200 1.00 0.00 N ATOM 428 CA THR A 53 -14.450 3.747 -2.040 1.00 0.00 C ATOM 429 C THR A 53 -14.214 2.453 -2.883 1.00 0.00 C ATOM 430 O THR A 53 -15.018 1.511 -2.842 1.00 0.00 O ATOM 431 CB THR A 53 -14.123 3.589 -0.522 1.00 0.00 C ATOM 432 OG1 THR A 53 -14.334 4.828 0.151 1.00 0.00 O ATOM 433 CG2 THR A 53 -12.682 3.165 -0.207 1.00 0.00 C ATOM 0 H THR A 53 -16.513 3.312 -2.168 1.00 0.00 H new ATOM 0 HA THR A 53 -13.771 4.516 -2.407 1.00 0.00 H new ATOM 0 HB THR A 53 -14.788 2.795 -0.184 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.129 4.722 1.103 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.555 3.083 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.477 2.200 -0.671 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.990 3.910 -0.598 1.00 0.00 H new ATOM 434 N PHE A 54 -13.102 2.407 -3.644 1.00 0.00 N ATOM 435 CA PHE A 54 -12.837 1.327 -4.636 1.00 0.00 C ATOM 436 C PHE A 54 -12.090 0.159 -3.926 1.00 0.00 C ATOM 437 O PHE A 54 -10.884 0.256 -3.673 1.00 0.00 O ATOM 438 CB PHE A 54 -12.050 1.944 -5.834 1.00 0.00 C ATOM 439 CG PHE A 54 -12.313 1.290 -7.200 1.00 0.00 C ATOM 440 CD1 PHE A 54 -11.601 0.156 -7.616 1.00 0.00 C ATOM 441 CD2 PHE A 54 -13.270 1.848 -8.056 1.00 0.00 C ATOM 442 CE1 PHE A 54 -11.857 -0.415 -8.860 1.00 0.00 C ATOM 443 CE2 PHE A 54 -13.523 1.275 -9.300 1.00 0.00 C ATOM 444 CZ PHE A 54 -12.820 0.143 -9.698 1.00 0.00 C ATOM 0 H PHE A 54 -12.363 3.108 -3.595 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.757 0.904 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.298 3.003 -5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.983 1.880 -5.618 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.852 -0.276 -6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.816 2.728 -7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -11.309 -1.291 -9.175 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.264 1.709 -9.955 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.021 -0.305 -10.660 1.00 0.00 H new ATOM 445 N LYS A 55 -12.829 -0.898 -3.520 1.00 0.00 N ATOM 446 CA LYS A 55 -12.381 -1.793 -2.414 1.00 0.00 C ATOM 447 C LYS A 55 -12.670 -3.293 -2.759 1.00 0.00 C ATOM 448 O LYS A 55 -12.066 -3.801 -3.709 1.00 0.00 O ATOM 449 CB LYS A 55 -12.943 -1.178 -1.086 1.00 0.00 C ATOM 450 CG LYS A 55 -12.509 -1.784 0.272 1.00 0.00 C ATOM 451 CD LYS A 55 -10.989 -1.900 0.518 1.00 0.00 C ATOM 452 CE LYS A 55 -10.339 -3.232 0.102 1.00 0.00 C ATOM 453 NZ LYS A 55 -10.755 -4.367 0.948 1.00 0.00 N ATOM 0 H LYS A 55 -13.727 -1.155 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.302 -1.837 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.674 -0.122 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.031 -1.230 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.939 -1.178 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.946 -2.779 0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.491 -1.092 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.799 -1.742 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.596 -3.446 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.255 -3.130 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.072 -5.145 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.789 -4.065 1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.697 -4.693 0.653 1.00 0.00 H new ATOM 454 N GLU A 56 -13.506 -4.010 -1.973 1.00 0.00 N ATOM 455 CA GLU A 56 -13.746 -5.484 -2.049 1.00 0.00 C ATOM 456 C GLU A 56 -12.517 -6.435 -1.793 1.00 0.00 C ATOM 457 O GLU A 56 -11.372 -6.102 -2.102 1.00 0.00 O ATOM 458 CB GLU A 56 -14.717 -5.914 -3.197 1.00 0.00 C ATOM 459 CG GLU A 56 -14.268 -5.870 -4.677 1.00 0.00 C ATOM 460 CD GLU A 56 -13.182 -6.878 -5.069 1.00 0.00 C ATOM 461 OE1 GLU A 56 -13.522 -8.046 -5.355 1.00 0.00 O ATOM 462 OE2 GLU A 56 -11.990 -6.508 -5.093 1.00 0.00 O ATOM 0 H GLU A 56 -14.057 -3.568 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.308 -5.672 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.026 -6.938 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.606 -5.289 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.141 -6.039 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.904 -4.867 -4.898 1.00 0.00 H new ATOM 463 N LYS A 57 -12.800 -7.644 -1.240 1.00 0.00 N ATOM 464 CA LYS A 57 -11.839 -8.786 -1.103 1.00 0.00 C ATOM 465 C LYS A 57 -10.793 -8.629 0.050 1.00 0.00 C ATOM 466 O LYS A 57 -10.161 -7.576 0.186 1.00 0.00 O ATOM 467 CB LYS A 57 -11.205 -9.224 -2.463 1.00 0.00 C ATOM 468 CG LYS A 57 -10.566 -10.635 -2.542 1.00 0.00 C ATOM 469 CD LYS A 57 -11.467 -11.814 -2.961 1.00 0.00 C ATOM 470 CE LYS A 57 -12.594 -12.190 -1.975 1.00 0.00 C ATOM 471 NZ LYS A 57 -13.311 -13.401 -2.417 1.00 0.00 N ATOM 0 H LYS A 57 -13.723 -7.863 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.460 -9.621 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.979 -9.164 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.439 -8.494 -2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.733 -10.586 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.146 -10.867 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.919 -11.576 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.837 -12.690 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.172 -12.356 -0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.296 -11.361 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.062 -13.628 -1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.733 -13.233 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.644 -14.197 -2.476 1.00 0.00 H new ATOM 472 N ASP A 58 -10.571 -9.709 0.836 1.00 0.00 N ATOM 473 CA ASP A 58 -9.466 -9.767 1.854 1.00 0.00 C ATOM 474 C ASP A 58 -8.013 -9.807 1.311 1.00 0.00 C ATOM 475 O ASP A 58 -7.100 -9.284 1.956 1.00 0.00 O ATOM 476 CB ASP A 58 -9.519 -10.929 2.886 1.00 0.00 C ATOM 477 CG ASP A 58 -10.889 -11.310 3.460 1.00 0.00 C ATOM 478 OD1 ASP A 58 -11.355 -10.649 4.413 1.00 0.00 O ATOM 479 OD2 ASP A 58 -11.502 -12.278 2.957 1.00 0.00 O ATOM 0 H ASP A 58 -11.136 -10.557 0.794 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.684 -8.810 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.094 -11.816 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.867 -10.667 3.719 1.00 0.00 H new ATOM 480 N THR A 59 -7.814 -10.464 0.158 1.00 0.00 N ATOM 481 CA THR A 59 -6.486 -10.557 -0.525 1.00 0.00 C ATOM 482 C THR A 59 -5.946 -9.220 -1.156 1.00 0.00 C ATOM 483 O THR A 59 -5.085 -9.255 -2.036 1.00 0.00 O ATOM 484 CB THR A 59 -6.482 -11.756 -1.528 1.00 0.00 C ATOM 485 OG1 THR A 59 -7.345 -11.495 -2.631 1.00 0.00 O ATOM 486 CG2 THR A 59 -6.848 -13.134 -0.938 1.00 0.00 C ATOM 0 H THR A 59 -8.561 -10.951 -0.338 1.00 0.00 H new ATOM 0 HA THR A 59 -5.758 -10.751 0.262 1.00 0.00 H new ATOM 0 HB THR A 59 -5.439 -11.827 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.327 -12.256 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.812 -13.888 -1.725 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.137 -13.394 -0.154 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.853 -13.095 -0.518 1.00 0.00 H new ATOM 487 N TYR A 60 -6.439 -8.055 -0.681 1.00 0.00 N ATOM 488 CA TYR A 60 -6.021 -6.700 -1.086 1.00 0.00 C ATOM 489 C TYR A 60 -6.861 -5.749 -0.174 1.00 0.00 C ATOM 490 O TYR A 60 -8.081 -5.654 -0.344 1.00 0.00 O ATOM 491 CB TYR A 60 -6.268 -6.432 -2.601 1.00 0.00 C ATOM 492 CG TYR A 60 -5.124 -5.696 -3.290 1.00 0.00 C ATOM 493 CD1 TYR A 60 -4.883 -4.367 -2.947 1.00 0.00 C ATOM 494 CD2 TYR A 60 -4.339 -6.306 -4.267 1.00 0.00 C ATOM 495 CE1 TYR A 60 -3.926 -3.625 -3.631 1.00 0.00 C ATOM 496 CE2 TYR A 60 -3.406 -5.551 -4.973 1.00 0.00 C ATOM 497 CZ TYR A 60 -3.219 -4.202 -4.671 1.00 0.00 C ATOM 498 OH TYR A 60 -2.317 -3.429 -5.358 1.00 0.00 O ATOM 0 H TYR A 60 -7.173 -8.036 0.027 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.949 -6.549 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.432 -7.383 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.182 -5.849 -2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.443 -3.910 -2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.454 -7.359 -4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.735 -2.600 -3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.825 -6.012 -5.758 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.536 -3.971 -5.596 1.00 0.00 H new ATOM 499 N LYS A 61 -6.224 -5.083 0.811 1.00 0.00 N ATOM 500 CA LYS A 61 -6.940 -4.323 1.880 1.00 0.00 C ATOM 501 C LYS A 61 -6.206 -2.983 2.152 1.00 0.00 C ATOM 502 O LYS A 61 -5.294 -2.910 2.981 1.00 0.00 O ATOM 503 CB LYS A 61 -7.110 -5.123 3.205 1.00 0.00 C ATOM 504 CG LYS A 61 -8.135 -6.278 3.176 1.00 0.00 C ATOM 505 CD LYS A 61 -8.239 -7.063 4.507 1.00 0.00 C ATOM 506 CE LYS A 61 -8.877 -6.324 5.699 1.00 0.00 C ATOM 507 NZ LYS A 61 -10.316 -6.049 5.515 1.00 0.00 N ATOM 0 H LYS A 61 -5.208 -5.051 0.896 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.947 -4.133 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.140 -5.533 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.401 -4.426 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.116 -5.873 2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.864 -6.970 2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.814 -7.971 4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.236 -7.374 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.741 -6.920 6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.352 -5.382 5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.684 -5.551 6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.451 -5.456 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.828 -6.946 5.393 1.00 0.00 H new ATOM 508 N LEU A 62 -6.644 -1.903 1.483 1.00 0.00 N ATOM 509 CA LEU A 62 -6.034 -0.555 1.633 1.00 0.00 C ATOM 510 C LEU A 62 -6.597 0.206 2.881 1.00 0.00 C ATOM 511 O LEU A 62 -7.787 0.099 3.197 1.00 0.00 O ATOM 512 CB LEU A 62 -6.231 0.245 0.303 1.00 0.00 C ATOM 513 CG LEU A 62 -5.334 -0.015 -0.931 1.00 0.00 C ATOM 514 CD1 LEU A 62 -3.852 0.197 -0.637 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.462 -1.388 -1.549 1.00 0.00 C ATOM 0 H LEU A 62 -7.424 -1.930 0.826 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.965 -0.663 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.262 0.086 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.133 1.302 0.550 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.710 0.721 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.271 0.001 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.688 1.226 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.537 -0.484 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.792 -1.466 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.197 -2.145 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.490 -1.545 -1.877 1.00 0.00 H new ATOM 516 N PHE A 63 -5.737 0.982 3.578 1.00 0.00 N ATOM 517 CA PHE A 63 -6.159 1.891 4.687 1.00 0.00 C ATOM 518 C PHE A 63 -6.138 3.403 4.274 1.00 0.00 C ATOM 519 O PHE A 63 -5.607 3.775 3.220 1.00 0.00 O ATOM 520 CB PHE A 63 -5.179 1.620 5.871 1.00 0.00 C ATOM 521 CG PHE A 63 -5.591 2.032 7.301 1.00 0.00 C ATOM 522 CD1 PHE A 63 -6.867 1.759 7.816 1.00 0.00 C ATOM 523 CD2 PHE A 63 -4.649 2.658 8.122 1.00 0.00 C ATOM 524 CE1 PHE A 63 -7.194 2.123 9.119 1.00 0.00 C ATOM 525 CE2 PHE A 63 -4.972 3.011 9.430 1.00 0.00 C ATOM 526 CZ PHE A 63 -6.246 2.747 9.927 1.00 0.00 C ATOM 0 H PHE A 63 -4.734 1.002 3.395 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.193 1.686 4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.970 0.550 5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.241 2.125 5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.600 1.263 7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.662 2.870 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.183 1.922 9.504 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.235 3.489 10.058 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.499 3.026 10.939 1.00 0.00 H new ATOM 527 N LYS A 64 -6.678 4.277 5.153 1.00 0.00 N ATOM 528 CA LYS A 64 -6.581 5.760 5.002 1.00 0.00 C ATOM 529 C LYS A 64 -5.270 6.437 5.495 1.00 0.00 C ATOM 530 O LYS A 64 -4.863 7.413 4.852 1.00 0.00 O ATOM 531 CB LYS A 64 -7.812 6.499 5.602 1.00 0.00 C ATOM 532 CG LYS A 64 -9.075 6.428 4.721 1.00 0.00 C ATOM 533 CD LYS A 64 -10.227 7.345 5.182 1.00 0.00 C ATOM 534 CE LYS A 64 -11.418 7.417 4.204 1.00 0.00 C ATOM 535 NZ LYS A 64 -12.228 6.185 4.169 1.00 0.00 N ATOM 0 H LYS A 64 -7.192 3.984 5.984 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.563 5.872 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.038 6.072 6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.552 7.545 5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.805 6.691 3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.432 5.398 4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.588 6.995 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.836 8.351 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.057 8.254 4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.043 7.624 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.792 6.165 3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.600 5.356 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.863 6.164 4.992 1.00 0.00 H new ATOM 536 N ASN A 65 -4.607 5.983 6.581 1.00 0.00 N ATOM 537 CA ASN A 65 -3.324 6.544 7.053 1.00 0.00 C ATOM 538 C ASN A 65 -2.180 6.533 5.980 1.00 0.00 C ATOM 539 O ASN A 65 -1.514 7.552 5.771 1.00 0.00 O ATOM 540 CB ASN A 65 -2.890 5.873 8.386 1.00 0.00 C ATOM 541 CG ASN A 65 -1.764 6.602 9.151 1.00 0.00 C ATOM 542 OD1 ASN A 65 -0.580 6.400 8.882 1.00 0.00 O ATOM 543 ND2 ASN A 65 -2.101 7.457 10.105 1.00 0.00 N ATOM 0 H ASN A 65 -4.949 5.214 7.157 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.505 7.602 7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.761 5.798 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.563 4.855 8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.377 7.954 10.623 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.085 7.618 10.321 1.00 0.00 H new ATOM 544 N GLY A 66 -2.016 5.378 5.317 1.00 0.00 N ATOM 545 CA GLY A 66 -1.172 5.256 4.110 1.00 0.00 C ATOM 546 C GLY A 66 -0.588 3.855 3.931 1.00 0.00 C ATOM 547 O GLY A 66 0.624 3.678 4.077 1.00 0.00 O ATOM 0 H GLY A 66 -2.461 4.504 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.764 5.512 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.358 5.979 4.168 1.00 0.00 H new ATOM 548 N THR A 67 -1.456 2.858 3.662 1.00 0.00 N ATOM 549 CA THR A 67 -1.119 1.433 3.902 1.00 0.00 C ATOM 550 C THR A 67 -1.900 0.497 2.924 1.00 0.00 C ATOM 551 O THR A 67 -3.006 0.793 2.470 1.00 0.00 O ATOM 552 CB THR A 67 -1.374 1.137 5.421 1.00 0.00 C ATOM 553 OG1 THR A 67 -0.398 1.784 6.228 1.00 0.00 O ATOM 554 CG2 THR A 67 -1.402 -0.331 5.836 1.00 0.00 C ATOM 0 H THR A 67 -2.390 3.008 3.281 1.00 0.00 H new ATOM 0 HA THR A 67 -0.070 1.229 3.689 1.00 0.00 H new ATOM 0 HB THR A 67 -2.381 1.523 5.577 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.573 1.590 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.586 -0.403 6.908 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.196 -0.847 5.296 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.444 -0.794 5.601 1.00 0.00 H new ATOM 555 N LEU A 68 -1.296 -0.676 2.667 1.00 0.00 N ATOM 556 CA LEU A 68 -1.937 -1.848 1.997 1.00 0.00 C ATOM 557 C LEU A 68 -1.767 -3.097 2.925 1.00 0.00 C ATOM 558 O LEU A 68 -0.848 -3.171 3.744 1.00 0.00 O ATOM 559 CB LEU A 68 -1.219 -2.003 0.624 1.00 0.00 C ATOM 560 CG LEU A 68 -1.875 -2.658 -0.620 1.00 0.00 C ATOM 561 CD1 LEU A 68 -0.947 -2.509 -1.839 1.00 0.00 C ATOM 562 CD2 LEU A 68 -2.291 -4.106 -0.417 1.00 0.00 C ATOM 0 H LEU A 68 -0.324 -0.852 2.921 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.007 -1.727 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.920 -1.000 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.304 -2.563 0.818 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.807 -2.121 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.413 -2.971 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.775 -1.451 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.005 -2.999 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.740 -4.487 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.415 -4.704 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.016 -4.166 0.395 1.00 0.00 H new ATOM 563 N LYS A 69 -2.664 -4.088 2.788 1.00 0.00 N ATOM 564 CA LYS A 69 -2.566 -5.400 3.482 1.00 0.00 C ATOM 565 C LYS A 69 -2.995 -6.487 2.445 1.00 0.00 C ATOM 566 O LYS A 69 -4.192 -6.685 2.213 1.00 0.00 O ATOM 567 CB LYS A 69 -3.463 -5.484 4.756 1.00 0.00 C ATOM 568 CG LYS A 69 -3.320 -4.420 5.866 1.00 0.00 C ATOM 569 CD LYS A 69 -2.053 -4.530 6.740 1.00 0.00 C ATOM 570 CE LYS A 69 -2.120 -3.557 7.933 1.00 0.00 C ATOM 571 NZ LYS A 69 -0.946 -3.674 8.810 1.00 0.00 N ATOM 0 H LYS A 69 -3.486 -4.009 2.190 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.544 -5.548 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.501 -5.470 4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.287 -6.457 5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.334 -3.434 5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.193 -4.480 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.946 -5.552 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.171 -4.312 6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.194 -2.535 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.024 -3.753 8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.153 -3.232 9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.718 -4.679 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.135 -3.195 8.370 1.00 0.00 H new ATOM 572 N ILE A 70 -2.032 -7.193 1.813 1.00 0.00 N ATOM 573 CA ILE A 70 -2.328 -8.228 0.783 1.00 0.00 C ATOM 574 C ILE A 70 -2.436 -9.592 1.536 1.00 0.00 C ATOM 575 O ILE A 70 -1.395 -10.149 1.895 1.00 0.00 O ATOM 576 CB ILE A 70 -1.270 -8.331 -0.392 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.498 -7.070 -0.890 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.962 -8.983 -1.602 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.844 -7.361 -1.603 1.00 0.00 C ATOM 0 H ILE A 70 -1.036 -7.068 1.996 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.254 -7.945 0.282 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.471 -8.908 0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.142 -6.515 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.305 -6.421 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.253 -9.065 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.316 -9.977 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.808 -8.369 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.303 -6.422 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.513 -7.885 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.663 -7.981 -2.481 1.00 0.00 H new ATOM 580 N LYS A 71 -3.644 -10.151 1.769 1.00 0.00 N ATOM 581 CA LYS A 71 -3.777 -11.461 2.470 1.00 0.00 C ATOM 582 C LYS A 71 -3.471 -12.672 1.533 1.00 0.00 C ATOM 583 O LYS A 71 -3.711 -12.640 0.320 1.00 0.00 O ATOM 584 CB LYS A 71 -5.179 -11.528 3.139 1.00 0.00 C ATOM 585 CG LYS A 71 -5.335 -12.565 4.271 1.00 0.00 C ATOM 586 CD LYS A 71 -6.740 -12.539 4.903 1.00 0.00 C ATOM 587 CE LYS A 71 -6.915 -13.574 6.027 1.00 0.00 C ATOM 588 NZ LYS A 71 -8.276 -13.514 6.594 1.00 0.00 N ATOM 0 H LYS A 71 -4.530 -9.730 1.490 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.022 -11.534 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.417 -10.543 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.918 -11.746 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.135 -13.561 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.589 -12.372 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.935 -11.543 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.484 -12.724 4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.723 -14.574 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.182 -13.391 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.369 -14.222 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.448 -12.566 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.972 -13.712 5.847 1.00 0.00 H new ATOM 589 N HIS A 72 -2.951 -13.759 2.144 1.00 0.00 N ATOM 590 CA HIS A 72 -2.875 -15.120 1.547 1.00 0.00 C ATOM 591 C HIS A 72 -1.602 -15.347 0.669 1.00 0.00 C ATOM 592 O HIS A 72 -1.306 -14.610 -0.267 1.00 0.00 O ATOM 593 CB HIS A 72 -4.196 -15.625 0.884 1.00 0.00 C ATOM 594 CG HIS A 72 -4.292 -17.133 0.624 1.00 0.00 C ATOM 595 ND1 HIS A 72 -4.387 -17.700 -0.640 1.00 0.00 N ATOM 596 CD2 HIS A 72 -4.294 -18.148 1.606 1.00 0.00 C ATOM 597 CE1 HIS A 72 -4.414 -19.029 -0.306 1.00 0.00 C ATOM 598 NE2 HIS A 72 -4.369 -19.397 1.012 1.00 0.00 N ATOM 0 H HIS A 72 -2.563 -13.719 3.086 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.754 -15.777 2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -5.031 -15.334 1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.323 -15.105 -0.066 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.244 -17.975 2.671 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.470 -19.782 -1.078 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.386 -20.325 1.435 1.00 0.00 H new ATOM 599 N LEU A 73 -0.884 -16.418 1.013 1.00 0.00 N ATOM 600 CA LEU A 73 -0.090 -17.303 0.120 1.00 0.00 C ATOM 601 C LEU A 73 -0.401 -17.309 -1.400 1.00 0.00 C ATOM 602 O LEU A 73 -1.483 -17.717 -1.818 1.00 0.00 O ATOM 603 CB LEU A 73 -0.288 -18.727 0.747 1.00 0.00 C ATOM 604 CG LEU A 73 0.266 -19.957 -0.039 1.00 0.00 C ATOM 605 CD1 LEU A 73 1.110 -20.932 0.787 1.00 0.00 C ATOM 606 CD2 LEU A 73 -0.895 -20.752 -0.645 1.00 0.00 C ATOM 0 H LEU A 73 -0.830 -16.721 1.985 1.00 0.00 H new ATOM 0 HA LEU A 73 0.933 -16.927 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.175 -18.725 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.357 -18.880 0.897 1.00 0.00 H new ATOM 0 HG LEU A 73 0.922 -19.527 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.447 -21.751 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.975 -20.409 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.509 -21.331 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.503 -21.609 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.552 -21.100 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.457 -20.113 -1.326 1.00 0.00 H new ATOM 607 N LYS A 74 0.521 -16.753 -2.200 1.00 0.00 N ATOM 608 CA LYS A 74 0.934 -17.285 -3.538 1.00 0.00 C ATOM 609 C LYS A 74 1.934 -16.256 -4.182 1.00 0.00 C ATOM 610 O LYS A 74 2.136 -15.131 -3.716 1.00 0.00 O ATOM 611 CB LYS A 74 -0.174 -17.765 -4.527 1.00 0.00 C ATOM 612 CG LYS A 74 -0.711 -19.204 -4.357 1.00 0.00 C ATOM 613 CD LYS A 74 -2.093 -19.419 -5.012 1.00 0.00 C ATOM 614 CE LYS A 74 -2.697 -20.827 -4.848 1.00 0.00 C ATOM 615 NZ LYS A 74 -3.194 -21.101 -3.487 1.00 0.00 N ATOM 0 H LYS A 74 1.020 -15.902 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 74 1.412 -18.243 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.018 -17.080 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.216 -17.670 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.002 -19.905 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.780 -19.436 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.790 -18.693 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.008 -19.202 -6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.517 -20.946 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.942 -21.570 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.845 -21.912 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.392 -21.320 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.696 -20.265 -3.126 1.00 0.00 H new ATOM 616 N THR A 75 2.436 -16.602 -5.386 1.00 0.00 N ATOM 617 CA THR A 75 2.817 -15.642 -6.438 1.00 0.00 C ATOM 618 C THR A 75 1.660 -14.740 -6.946 1.00 0.00 C ATOM 619 O THR A 75 1.746 -13.512 -6.879 1.00 0.00 O ATOM 620 CB THR A 75 3.600 -16.362 -7.585 1.00 0.00 C ATOM 621 OG1 THR A 75 4.670 -17.146 -7.065 1.00 0.00 O ATOM 622 CG2 THR A 75 4.201 -15.427 -8.652 1.00 0.00 C ATOM 0 H THR A 75 2.590 -17.573 -5.657 1.00 0.00 H new ATOM 0 HA THR A 75 3.495 -14.928 -5.971 1.00 0.00 H new ATOM 0 HB THR A 75 2.839 -16.976 -8.067 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.141 -17.586 -7.803 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.723 -16.020 -9.403 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.403 -14.859 -9.129 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.903 -14.740 -8.180 1.00 0.00 H new ATOM 623 N ASP A 76 0.599 -15.382 -7.439 1.00 0.00 N ATOM 624 CA ASP A 76 -0.642 -14.699 -7.907 1.00 0.00 C ATOM 625 C ASP A 76 -1.546 -14.002 -6.844 1.00 0.00 C ATOM 626 O ASP A 76 -2.315 -13.114 -7.222 1.00 0.00 O ATOM 627 CB ASP A 76 -1.448 -15.643 -8.844 1.00 0.00 C ATOM 628 CG ASP A 76 -2.000 -16.937 -8.214 1.00 0.00 C ATOM 629 OD1 ASP A 76 -3.099 -16.904 -7.618 1.00 0.00 O ATOM 630 OD2 ASP A 76 -1.332 -17.988 -8.315 1.00 0.00 O ATOM 0 H ASP A 76 0.561 -16.397 -7.532 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.270 -13.834 -8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.286 -15.080 -9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.808 -15.919 -9.682 1.00 0.00 H new ATOM 631 N ASP A 77 -1.430 -14.344 -5.545 1.00 0.00 N ATOM 632 CA ASP A 77 -1.991 -13.512 -4.449 1.00 0.00 C ATOM 633 C ASP A 77 -1.232 -12.182 -4.170 1.00 0.00 C ATOM 634 O ASP A 77 -1.900 -11.276 -3.669 1.00 0.00 O ATOM 635 CB ASP A 77 -2.148 -14.347 -3.148 1.00 0.00 C ATOM 636 CG ASP A 77 -3.397 -15.235 -3.128 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.342 -16.377 -3.630 1.00 0.00 O ATOM 638 OD2 ASP A 77 -4.445 -14.782 -2.620 1.00 0.00 O ATOM 0 H ASP A 77 -0.955 -15.188 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.972 -13.200 -4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.266 -14.975 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.182 -13.670 -2.295 1.00 0.00 H new ATOM 639 N GLN A 78 0.093 -12.024 -4.454 1.00 0.00 N ATOM 640 CA GLN A 78 0.822 -10.770 -4.096 1.00 0.00 C ATOM 641 C GLN A 78 1.955 -10.433 -5.108 1.00 0.00 C ATOM 642 O GLN A 78 2.807 -11.271 -5.414 1.00 0.00 O ATOM 643 CB GLN A 78 1.245 -10.684 -2.602 1.00 0.00 C ATOM 644 CG GLN A 78 1.781 -11.912 -1.823 1.00 0.00 C ATOM 645 CD GLN A 78 3.218 -12.406 -2.064 1.00 0.00 C ATOM 646 OE1 GLN A 78 3.495 -13.592 -1.913 1.00 0.00 O ATOM 647 NE2 GLN A 78 4.179 -11.545 -2.363 1.00 0.00 N ATOM 0 H GLN A 78 0.666 -12.729 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 78 0.095 -9.964 -4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.013 -9.913 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.378 -10.318 -2.052 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.689 -11.688 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.112 -12.746 -2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.958 -10.557 -2.490 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.141 -11.869 -2.466 1.00 0.00 H new ATOM 648 N ASP A 79 1.899 -9.200 -5.667 1.00 0.00 N ATOM 649 CA ASP A 79 2.470 -8.894 -7.012 1.00 0.00 C ATOM 650 C ASP A 79 3.030 -7.433 -7.173 1.00 0.00 C ATOM 651 O ASP A 79 3.076 -6.632 -6.233 1.00 0.00 O ATOM 652 CB ASP A 79 1.349 -9.188 -8.053 1.00 0.00 C ATOM 653 CG ASP A 79 1.091 -10.664 -8.377 1.00 0.00 C ATOM 654 OD1 ASP A 79 1.978 -11.321 -8.968 1.00 0.00 O ATOM 655 OD2 ASP A 79 0.002 -11.177 -8.040 1.00 0.00 O ATOM 0 H ASP A 79 1.465 -8.397 -5.211 1.00 0.00 H new ATOM 0 HA ASP A 79 3.347 -9.523 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.420 -8.751 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.600 -8.673 -8.980 1.00 0.00 H new ATOM 656 N ILE A 80 3.481 -7.114 -8.413 1.00 0.00 N ATOM 657 CA ILE A 80 4.113 -5.823 -8.796 1.00 0.00 C ATOM 658 C ILE A 80 3.112 -4.635 -8.677 1.00 0.00 C ATOM 659 O ILE A 80 2.016 -4.722 -9.231 1.00 0.00 O ATOM 660 CB ILE A 80 4.743 -5.900 -10.245 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.601 -7.165 -10.577 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.532 -4.623 -10.633 1.00 0.00 C ATOM 663 CD1 ILE A 80 6.885 -7.382 -9.763 1.00 0.00 C ATOM 0 H ILE A 80 3.414 -7.764 -9.196 1.00 0.00 H new ATOM 0 HA ILE A 80 4.923 -5.636 -8.091 1.00 0.00 H new ATOM 0 HB ILE A 80 3.848 -5.986 -10.861 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.969 -8.044 -10.449 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.874 -7.119 -11.631 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.939 -4.738 -11.637 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.865 -3.762 -10.608 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.348 -4.470 -9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.379 -8.294 -10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.554 -6.534 -9.906 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.635 -7.472 -8.706 1.00 0.00 H new ATOM 664 N TYR A 81 3.500 -3.554 -7.964 1.00 0.00 N ATOM 665 CA TYR A 81 2.602 -2.391 -7.710 1.00 0.00 C ATOM 666 C TYR A 81 3.202 -1.009 -8.126 1.00 0.00 C ATOM 667 O TYR A 81 4.342 -0.894 -8.578 1.00 0.00 O ATOM 668 CB TYR A 81 2.101 -2.399 -6.228 1.00 0.00 C ATOM 669 CG TYR A 81 1.152 -3.508 -5.734 1.00 0.00 C ATOM 670 CD1 TYR A 81 0.386 -4.291 -6.607 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.107 -3.805 -4.366 1.00 0.00 C ATOM 672 CE1 TYR A 81 -0.148 -5.498 -6.192 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.501 -4.975 -3.932 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.073 -5.855 -4.850 1.00 0.00 C ATOM 675 OH TYR A 81 -0.689 -7.009 -4.442 1.00 0.00 O ATOM 0 H TYR A 81 4.428 -3.457 -7.552 1.00 0.00 H new ATOM 0 HA TYR A 81 1.743 -2.519 -8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.984 -2.422 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.603 -1.446 -6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.210 -3.948 -7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.543 -3.124 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.620 -6.158 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.473 -5.206 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.661 -6.894 -4.487 1.00 0.00 H new ATOM 676 N LYS A 82 2.378 0.050 -8.002 1.00 0.00 N ATOM 677 CA LYS A 82 2.801 1.454 -8.246 1.00 0.00 C ATOM 678 C LYS A 82 1.762 2.404 -7.576 1.00 0.00 C ATOM 679 O LYS A 82 0.552 2.283 -7.788 1.00 0.00 O ATOM 680 CB LYS A 82 2.961 1.672 -9.777 1.00 0.00 C ATOM 681 CG LYS A 82 3.122 3.122 -10.304 1.00 0.00 C ATOM 682 CD LYS A 82 1.815 3.674 -10.920 1.00 0.00 C ATOM 683 CE LYS A 82 1.904 5.093 -11.506 1.00 0.00 C ATOM 684 NZ LYS A 82 1.935 6.123 -10.458 1.00 0.00 N ATOM 0 H LYS A 82 1.399 -0.038 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 82 3.770 1.677 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.830 1.102 -10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.091 1.236 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.437 3.770 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.913 3.148 -11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.491 2.994 -11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.041 3.665 -10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.800 5.175 -12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.051 5.268 -12.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.499 6.996 -10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.407 5.788 -9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.921 6.314 -10.188 1.00 0.00 H new ATOM 685 N VAL A 83 2.277 3.372 -6.793 1.00 0.00 N ATOM 686 CA VAL A 83 1.450 4.298 -5.972 1.00 0.00 C ATOM 687 C VAL A 83 1.335 5.719 -6.610 1.00 0.00 C ATOM 688 O VAL A 83 2.317 6.296 -7.087 1.00 0.00 O ATOM 689 CB VAL A 83 2.001 4.314 -4.504 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.368 4.992 -4.280 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.005 4.875 -3.474 1.00 0.00 C ATOM 0 H VAL A 83 3.279 3.540 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 83 0.424 3.931 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 83 2.152 3.247 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.634 4.935 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.128 4.484 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.310 6.037 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.457 4.854 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.751 5.902 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.101 4.267 -3.474 1.00 0.00 H new ATOM 692 N SER A 84 0.122 6.297 -6.509 1.00 0.00 N ATOM 693 CA SER A 84 -0.096 7.770 -6.569 1.00 0.00 C ATOM 694 C SER A 84 -0.851 8.228 -5.284 1.00 0.00 C ATOM 695 O SER A 84 -1.629 7.478 -4.683 1.00 0.00 O ATOM 696 CB SER A 84 -0.939 8.149 -7.804 1.00 0.00 C ATOM 697 OG SER A 84 -0.274 7.832 -9.018 1.00 0.00 O ATOM 0 H SER A 84 -0.738 5.763 -6.384 1.00 0.00 H new ATOM 0 HA SER A 84 0.874 8.262 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.894 7.625 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.160 9.216 -7.779 1.00 0.00 H new ATOM 0 HG SER A 84 -0.840 8.085 -9.777 1.00 0.00 H new ATOM 698 N ILE A 85 -0.625 9.493 -4.880 1.00 0.00 N ATOM 699 CA ILE A 85 -1.280 10.108 -3.684 1.00 0.00 C ATOM 700 C ILE A 85 -1.853 11.486 -4.142 1.00 0.00 C ATOM 701 O ILE A 85 -1.122 12.356 -4.621 1.00 0.00 O ATOM 702 CB ILE A 85 -0.333 10.215 -2.428 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.191 8.835 -1.911 1.00 0.00 C ATOM 704 CG2 ILE A 85 -1.012 10.949 -1.241 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.563 8.410 -2.455 1.00 0.00 C ATOM 0 H ILE A 85 0.013 10.125 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.084 9.462 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 85 0.518 10.793 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.244 8.869 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.538 8.067 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.321 10.998 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.284 11.959 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.909 10.406 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.836 7.441 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.517 8.336 -3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.311 9.151 -2.173 1.00 0.00 H new ATOM 706 N TYR A 86 -3.166 11.664 -3.921 1.00 0.00 N ATOM 707 CA TYR A 86 -3.915 12.920 -4.219 1.00 0.00 C ATOM 708 C TYR A 86 -4.486 13.441 -2.871 1.00 0.00 C ATOM 709 O TYR A 86 -4.930 12.676 -2.006 1.00 0.00 O ATOM 710 CB TYR A 86 -5.053 12.736 -5.268 1.00 0.00 C ATOM 711 CG TYR A 86 -4.717 12.008 -6.585 1.00 0.00 C ATOM 712 CD1 TYR A 86 -4.573 10.616 -6.589 1.00 0.00 C ATOM 713 CD2 TYR A 86 -4.549 12.716 -7.783 1.00 0.00 C ATOM 714 CE1 TYR A 86 -4.198 9.950 -7.750 1.00 0.00 C ATOM 715 CE2 TYR A 86 -4.210 12.039 -8.953 1.00 0.00 C ATOM 716 CZ TYR A 86 -4.016 10.660 -8.933 1.00 0.00 C ATOM 717 OH TYR A 86 -3.627 9.999 -10.070 1.00 0.00 O ATOM 0 H TYR A 86 -3.757 10.933 -3.524 1.00 0.00 H new ATOM 0 HA TYR A 86 -3.231 13.637 -4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.866 12.194 -4.786 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.435 13.725 -5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.754 10.055 -5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.682 13.788 -7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.048 8.881 -7.734 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.097 12.585 -9.878 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.546 10.638 -10.808 1.00 0.00 H new ATOM 718 N ASP A 87 -4.479 14.769 -2.704 1.00 0.00 N ATOM 719 CA ASP A 87 -4.866 15.425 -1.424 1.00 0.00 C ATOM 720 C ASP A 87 -6.407 15.455 -1.161 1.00 0.00 C ATOM 721 O ASP A 87 -7.198 14.830 -1.879 1.00 0.00 O ATOM 722 CB ASP A 87 -4.118 16.788 -1.274 1.00 0.00 C ATOM 723 CG ASP A 87 -4.290 17.845 -2.381 1.00 0.00 C ATOM 724 OD1 ASP A 87 -5.308 18.569 -2.373 1.00 0.00 O ATOM 725 OD2 ASP A 87 -3.403 17.952 -3.253 1.00 0.00 O ATOM 0 H ASP A 87 -4.209 15.424 -3.438 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.524 14.800 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.435 17.238 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.053 16.574 -1.182 1.00 0.00 H new ATOM 726 N THR A 88 -6.822 16.181 -0.105 1.00 0.00 N ATOM 727 CA THR A 88 -8.268 16.495 0.150 1.00 0.00 C ATOM 728 C THR A 88 -9.015 17.257 -0.993 1.00 0.00 C ATOM 729 O THR A 88 -10.165 16.928 -1.293 1.00 0.00 O ATOM 730 CB THR A 88 -8.554 17.082 1.571 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.432 18.501 1.581 1.00 0.00 O ATOM 732 CG2 THR A 88 -7.783 16.506 2.768 1.00 0.00 C ATOM 0 H THR A 88 -6.187 16.567 0.593 1.00 0.00 H new ATOM 0 HA THR A 88 -8.726 15.506 0.138 1.00 0.00 H new ATOM 0 HB THR A 88 -9.581 16.754 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.510 18.749 1.802 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.093 17.016 3.680 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.995 15.441 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.714 16.652 2.616 1.00 0.00 H new ATOM 733 N LYS A 89 -8.340 18.222 -1.651 1.00 0.00 N ATOM 734 CA LYS A 89 -8.794 18.801 -2.944 1.00 0.00 C ATOM 735 C LYS A 89 -8.737 17.825 -4.172 1.00 0.00 C ATOM 736 O LYS A 89 -9.624 17.930 -5.027 1.00 0.00 O ATOM 737 CB LYS A 89 -7.977 20.104 -3.201 1.00 0.00 C ATOM 738 CG LYS A 89 -8.575 21.086 -4.238 1.00 0.00 C ATOM 739 CD LYS A 89 -9.797 21.880 -3.727 1.00 0.00 C ATOM 740 CE LYS A 89 -10.471 22.717 -4.830 1.00 0.00 C ATOM 741 NZ LYS A 89 -11.566 23.539 -4.284 1.00 0.00 N ATOM 0 H LYS A 89 -7.468 18.624 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.858 19.017 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.864 20.631 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.977 19.823 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.801 21.790 -4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.866 20.526 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.526 21.186 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.483 22.540 -2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.731 23.362 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.861 22.056 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.001 24.091 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.283 22.921 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.188 24.186 -3.562 1.00 0.00 H new ATOM 742 N GLY A 90 -7.733 16.923 -4.294 1.00 0.00 N ATOM 743 CA GLY A 90 -7.589 16.033 -5.473 1.00 0.00 C ATOM 744 C GLY A 90 -6.565 16.537 -6.507 1.00 0.00 C ATOM 745 O GLY A 90 -6.940 16.835 -7.647 1.00 0.00 O ATOM 0 H GLY A 90 -7.009 16.792 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.292 15.041 -5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.559 15.927 -5.958 1.00 0.00 H new ATOM 746 N LYS A 91 -5.286 16.611 -6.101 1.00 0.00 N ATOM 747 CA LYS A 91 -4.162 17.060 -6.967 1.00 0.00 C ATOM 748 C LYS A 91 -2.914 16.235 -6.556 1.00 0.00 C ATOM 749 O LYS A 91 -2.591 16.107 -5.367 1.00 0.00 O ATOM 750 CB LYS A 91 -3.896 18.589 -6.827 1.00 0.00 C ATOM 751 CG LYS A 91 -4.706 19.451 -7.821 1.00 0.00 C ATOM 752 CD LYS A 91 -4.546 20.973 -7.637 1.00 0.00 C ATOM 753 CE LYS A 91 -5.443 21.555 -6.530 1.00 0.00 C ATOM 754 NZ LYS A 91 -5.266 23.011 -6.402 1.00 0.00 N ATOM 0 H LYS A 91 -4.992 16.361 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.408 16.895 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.136 18.900 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.833 18.780 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.406 19.188 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.761 19.197 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.505 21.195 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.775 21.471 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.487 21.332 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.209 21.074 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.885 23.371 -5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.275 23.221 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.513 23.471 -7.301 1.00 0.00 H new ATOM 755 N ASN A 92 -2.211 15.671 -7.558 1.00 0.00 N ATOM 756 CA ASN A 92 -1.190 14.618 -7.320 1.00 0.00 C ATOM 757 C ASN A 92 0.131 15.207 -6.747 1.00 0.00 C ATOM 758 O ASN A 92 0.868 15.916 -7.439 1.00 0.00 O ATOM 759 CB ASN A 92 -0.952 13.797 -8.617 1.00 0.00 C ATOM 760 CG ASN A 92 -0.339 12.399 -8.380 1.00 0.00 C ATOM 761 OD1 ASN A 92 -0.761 11.657 -7.493 1.00 0.00 O ATOM 762 ND2 ASN A 92 0.648 12.003 -9.168 1.00 0.00 N ATOM 0 H ASN A 92 -2.327 15.923 -8.540 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.573 13.939 -6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.902 13.681 -9.139 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.293 14.363 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.062 11.080 -9.042 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.994 12.621 -9.902 1.00 0.00 H new ATOM 763 N VAL A 93 0.393 14.886 -5.472 1.00 0.00 N ATOM 764 CA VAL A 93 1.594 15.360 -4.726 1.00 0.00 C ATOM 765 C VAL A 93 2.800 14.386 -4.906 1.00 0.00 C ATOM 766 O VAL A 93 3.862 14.785 -5.388 1.00 0.00 O ATOM 767 CB VAL A 93 1.277 15.716 -3.224 1.00 0.00 C ATOM 768 CG1 VAL A 93 0.820 17.180 -3.063 1.00 0.00 C ATOM 769 CG2 VAL A 93 0.344 14.761 -2.437 1.00 0.00 C ATOM 0 H VAL A 93 -0.218 14.288 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 93 1.903 16.306 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 93 2.247 15.567 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.612 17.383 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.608 17.848 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.083 17.346 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.217 15.132 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.627 14.713 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.785 13.765 -2.407 1.00 0.00 H new ATOM 770 N LEU A 94 2.599 13.131 -4.492 1.00 0.00 N ATOM 771 CA LEU A 94 3.661 12.091 -4.418 1.00 0.00 C ATOM 772 C LEU A 94 3.369 10.922 -5.404 1.00 0.00 C ATOM 773 O LEU A 94 2.220 10.502 -5.595 1.00 0.00 O ATOM 774 CB LEU A 94 3.769 11.566 -2.960 1.00 0.00 C ATOM 775 CG LEU A 94 4.354 12.541 -1.896 1.00 0.00 C ATOM 776 CD1 LEU A 94 4.146 11.979 -0.479 1.00 0.00 C ATOM 777 CD2 LEU A 94 5.844 12.855 -2.143 1.00 0.00 C ATOM 0 H LEU A 94 1.685 12.792 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 94 4.612 12.537 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.773 11.267 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.385 10.667 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 94 3.811 13.481 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.561 12.673 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.080 11.849 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.650 11.016 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.204 13.539 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.421 11.931 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.961 13.317 -3.123 1.00 0.00 H new ATOM 778 N GLU A 95 4.455 10.395 -5.999 1.00 0.00 N ATOM 779 CA GLU A 95 4.411 9.263 -6.962 1.00 0.00 C ATOM 780 C GLU A 95 5.675 8.381 -6.708 1.00 0.00 C ATOM 781 O GLU A 95 6.805 8.882 -6.713 1.00 0.00 O ATOM 782 CB GLU A 95 4.374 9.832 -8.414 1.00 0.00 C ATOM 783 CG GLU A 95 4.023 8.836 -9.541 1.00 0.00 C ATOM 784 CD GLU A 95 5.133 7.854 -9.945 1.00 0.00 C ATOM 785 OE1 GLU A 95 6.155 8.295 -10.512 1.00 0.00 O ATOM 786 OE2 GLU A 95 4.987 6.634 -9.695 1.00 0.00 O ATOM 0 H GLU A 95 5.399 10.741 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 95 3.520 8.649 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.650 10.646 -8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.350 10.265 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.151 8.260 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.731 9.405 -10.423 1.00 0.00 H new ATOM 787 N LYS A 96 5.470 7.065 -6.525 1.00 0.00 N ATOM 788 CA LYS A 96 6.580 6.077 -6.358 1.00 0.00 C ATOM 789 C LYS A 96 6.153 4.692 -6.958 1.00 0.00 C ATOM 790 O LYS A 96 4.992 4.459 -7.311 1.00 0.00 O ATOM 791 CB LYS A 96 7.029 6.096 -4.862 1.00 0.00 C ATOM 792 CG LYS A 96 8.311 5.305 -4.511 1.00 0.00 C ATOM 793 CD LYS A 96 8.771 5.509 -3.052 1.00 0.00 C ATOM 794 CE LYS A 96 9.968 4.620 -2.675 1.00 0.00 C ATOM 795 NZ LYS A 96 10.420 4.888 -1.298 1.00 0.00 N ATOM 0 H LYS A 96 4.541 6.646 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 96 7.473 6.335 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.178 7.134 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.211 5.705 -4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.134 4.244 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.113 5.608 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.040 6.555 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.940 5.295 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.689 3.571 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.788 4.797 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.136 4.185 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.834 5.841 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.610 4.828 -0.649 1.00 0.00 H new ATOM 796 N ILE A 97 7.134 3.789 -7.143 1.00 0.00 N ATOM 797 CA ILE A 97 6.962 2.491 -7.868 1.00 0.00 C ATOM 798 C ILE A 97 7.487 1.347 -6.926 1.00 0.00 C ATOM 799 O ILE A 97 8.391 1.539 -6.105 1.00 0.00 O ATOM 800 CB ILE A 97 7.634 2.521 -9.295 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.304 3.793 -10.148 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.287 1.246 -10.111 1.00 0.00 C ATOM 803 CD1 ILE A 97 8.107 3.980 -11.447 1.00 0.00 C ATOM 0 H ILE A 97 8.082 3.930 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 97 5.911 2.300 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 97 8.704 2.556 -9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.245 3.766 -10.403 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.459 4.672 -9.522 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.766 1.298 -11.089 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.645 0.365 -9.579 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.207 1.179 -10.239 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.786 4.895 -11.945 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.169 4.049 -11.212 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.936 3.129 -12.106 1.00 0.00 H new ATOM 804 N PHE A 98 6.849 0.165 -7.002 1.00 0.00 N ATOM 805 CA PHE A 98 6.995 -0.941 -5.999 1.00 0.00 C ATOM 806 C PHE A 98 6.867 -2.325 -6.713 1.00 0.00 C ATOM 807 O PHE A 98 6.408 -2.403 -7.857 1.00 0.00 O ATOM 808 CB PHE A 98 5.862 -0.737 -4.951 1.00 0.00 C ATOM 809 CG PHE A 98 6.155 0.382 -3.938 1.00 0.00 C ATOM 810 CD1 PHE A 98 6.943 0.109 -2.822 1.00 0.00 C ATOM 811 CD2 PHE A 98 5.702 1.691 -4.150 1.00 0.00 C ATOM 812 CE1 PHE A 98 7.279 1.121 -1.929 1.00 0.00 C ATOM 813 CE2 PHE A 98 6.046 2.700 -3.258 1.00 0.00 C ATOM 814 CZ PHE A 98 6.825 2.415 -2.148 1.00 0.00 C ATOM 0 H PHE A 98 6.209 -0.065 -7.762 1.00 0.00 H new ATOM 0 HA PHE A 98 7.970 -0.922 -5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.933 -0.509 -5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.704 -1.671 -4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.296 -0.897 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.085 1.916 -5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.892 0.901 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.705 3.710 -3.431 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.080 3.201 -1.452 1.00 0.00 H new ATOM 815 N ASP A 99 7.320 -3.442 -6.087 1.00 0.00 N ATOM 816 CA ASP A 99 7.446 -4.738 -6.825 1.00 0.00 C ATOM 817 C ASP A 99 7.406 -5.953 -5.862 1.00 0.00 C ATOM 818 O ASP A 99 8.449 -6.193 -5.242 1.00 0.00 O ATOM 819 CB ASP A 99 8.778 -4.824 -7.657 1.00 0.00 C ATOM 820 CG ASP A 99 9.022 -3.856 -8.823 1.00 0.00 C ATOM 821 OD1 ASP A 99 9.387 -2.684 -8.571 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.885 -4.266 -9.995 1.00 0.00 O ATOM 0 H ASP A 99 7.597 -3.480 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 99 6.593 -4.770 -7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.605 -4.703 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.845 -5.836 -8.057 1.00 0.00 H new ATOM 823 N LEU A 100 6.326 -6.793 -5.751 1.00 0.00 N ATOM 824 CA LEU A 100 6.448 -8.047 -4.947 1.00 0.00 C ATOM 825 C LEU A 100 7.141 -9.207 -5.727 1.00 0.00 C ATOM 826 O LEU A 100 6.792 -9.540 -6.863 1.00 0.00 O ATOM 827 CB LEU A 100 5.140 -8.496 -4.243 1.00 0.00 C ATOM 828 CG LEU A 100 4.831 -7.895 -2.845 1.00 0.00 C ATOM 829 CD1 LEU A 100 5.899 -8.274 -1.789 1.00 0.00 C ATOM 830 CD2 LEU A 100 4.563 -6.377 -2.877 1.00 0.00 C ATOM 0 H LEU A 100 5.415 -6.636 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 100 7.119 -7.776 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.305 -8.258 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.168 -9.581 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 100 3.895 -8.357 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.636 -7.829 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.941 -9.358 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.873 -7.902 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.354 -6.023 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.440 -5.861 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.705 -6.172 -3.518 1.00 0.00 H new ATOM 831 N LYS A 101 8.136 -9.791 -5.041 1.00 0.00 N ATOM 832 CA LYS A 101 9.054 -10.832 -5.567 1.00 0.00 C ATOM 833 C LYS A 101 8.918 -12.111 -4.683 1.00 0.00 C ATOM 834 O LYS A 101 8.624 -12.035 -3.484 1.00 0.00 O ATOM 835 CB LYS A 101 10.524 -10.320 -5.499 1.00 0.00 C ATOM 836 CG LYS A 101 10.905 -8.996 -6.197 1.00 0.00 C ATOM 837 CD LYS A 101 10.729 -8.990 -7.731 1.00 0.00 C ATOM 838 CE LYS A 101 11.293 -7.734 -8.422 1.00 0.00 C ATOM 839 NZ LYS A 101 12.769 -7.714 -8.474 1.00 0.00 N ATOM 0 H LYS A 101 8.336 -9.548 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 101 8.799 -11.058 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.786 -10.220 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.161 -11.102 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.301 -8.193 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.945 -8.767 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.219 -9.871 -8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.668 -9.075 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.899 -7.677 -9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.942 -6.848 -7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.088 -6.846 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.151 -7.739 -7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.109 -8.543 -9.002 1.00 0.00 H new ATOM 840 N ILE A 102 9.141 -13.296 -5.282 1.00 0.00 N ATOM 841 CA ILE A 102 8.877 -14.610 -4.611 1.00 0.00 C ATOM 842 C ILE A 102 10.208 -15.423 -4.672 1.00 0.00 C ATOM 843 O ILE A 102 10.785 -15.625 -5.745 1.00 0.00 O ATOM 844 CB ILE A 102 7.650 -15.354 -5.252 1.00 0.00 C ATOM 845 CG1 ILE A 102 6.369 -14.488 -5.458 1.00 0.00 C ATOM 846 CG2 ILE A 102 7.246 -16.639 -4.489 1.00 0.00 C ATOM 847 CD1 ILE A 102 5.599 -14.047 -4.204 1.00 0.00 C ATOM 0 H ILE A 102 9.504 -13.384 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 102 8.588 -14.473 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 102 8.037 -15.609 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.654 -13.592 -6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.683 -15.048 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.393 -17.103 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.084 -17.336 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.976 -16.384 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.734 -13.453 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.265 -14.927 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.251 -13.448 -3.569 1.00 0.00 H new ATOM 848 N GLN A 103 10.684 -15.890 -3.497 1.00 0.00 N ATOM 849 CA GLN A 103 12.016 -16.544 -3.346 1.00 0.00 C ATOM 850 C GLN A 103 12.088 -17.952 -4.007 1.00 0.00 C ATOM 851 O GLN A 103 11.150 -18.752 -3.912 1.00 0.00 O ATOM 852 CB GLN A 103 12.386 -16.623 -1.838 1.00 0.00 C ATOM 853 CG GLN A 103 12.807 -15.276 -1.209 1.00 0.00 C ATOM 854 CD GLN A 103 12.942 -15.340 0.319 1.00 0.00 C ATOM 855 OE1 GLN A 103 11.955 -15.253 1.049 1.00 0.00 O ATOM 856 NE2 GLN A 103 14.153 -15.491 0.836 1.00 0.00 N ATOM 0 H GLN A 103 10.161 -15.827 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 103 12.742 -15.928 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.531 -17.015 -1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 103 13.200 -17.337 -1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 103 13.758 -14.963 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.073 -14.514 -1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 103 14.964 -15.562 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 103 14.274 -15.536 1.848 1.00 0.00 H new ATOM 857 N GLU A 104 13.214 -18.221 -4.700 1.00 0.00 N ATOM 858 CA GLU A 104 13.427 -19.470 -5.473 1.00 0.00 C ATOM 859 C GLU A 104 14.949 -19.609 -5.751 1.00 0.00 C ATOM 860 O GLU A 104 15.513 -18.977 -6.653 1.00 0.00 O ATOM 861 CB GLU A 104 12.549 -19.602 -6.750 1.00 0.00 C ATOM 862 CG GLU A 104 12.583 -18.448 -7.781 1.00 0.00 C ATOM 863 CD GLU A 104 11.527 -18.607 -8.875 1.00 0.00 C ATOM 864 OE1 GLU A 104 11.815 -19.247 -9.912 1.00 0.00 O ATOM 865 OE2 GLU A 104 10.398 -18.092 -8.702 1.00 0.00 O ATOM 0 H GLU A 104 14.005 -17.579 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 104 13.085 -20.311 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.844 -20.517 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.515 -19.734 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.427 -17.500 -7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.571 -18.403 -8.239 1.00 0.00 H new ATOM 866 N ARG A 105 15.587 -20.467 -4.944 1.00 0.00 N ATOM 867 CA ARG A 105 17.037 -20.785 -5.051 1.00 0.00 C ATOM 868 C ARG A 105 17.269 -21.852 -6.151 1.00 0.00 C ATOM 869 O ARG A 105 17.890 -21.515 -7.184 1.00 0.00 O ATOM 870 CB ARG A 105 17.559 -21.224 -3.654 1.00 0.00 C ATOM 871 CG ARG A 105 19.066 -21.555 -3.526 1.00 0.00 C ATOM 872 CD ARG A 105 20.016 -20.346 -3.640 1.00 0.00 C ATOM 873 NE ARG A 105 21.426 -20.777 -3.460 1.00 0.00 N ATOM 874 CZ ARG A 105 22.439 -19.962 -3.097 1.00 0.00 C ATOM 875 NH1 ARG A 105 22.302 -18.654 -2.883 1.00 0.00 N ATOM 876 NH2 ARG A 105 23.639 -20.495 -2.944 1.00 0.00 N ATOM 877 OXT ARG A 105 16.843 -23.020 -5.992 1.00 0.00 O ATOM 0 H ARG A 105 15.118 -20.969 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 105 17.605 -19.905 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 105 17.327 -20.430 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 105 16.994 -22.103 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.235 -22.040 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.330 -22.278 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 105 19.896 -19.871 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 105 19.758 -19.600 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 105 21.645 -21.760 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 105 21.389 -18.212 -2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 105 23.110 -18.094 -2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 105 23.777 -21.494 -3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 105 24.427 -19.908 -2.670 1.00 0.00 H new